SCHEMBL2990613

SCHEMBL2990613

O=C(CCCCCl)NC1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.78
HDAC3 O15379 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
NCOR2 Q9Y618 1/20 0.66
ALDH1A1 P00352 2/20 0.59
HPGD P15428 3/20 0.58
EPHX1 P07099 3/20 0.56
EPHX2 P34913 2/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7307871 0.94 SMN1; SMN2 (0.74) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL28668503 0.90 SMN1; SMN2 (0.95) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL9337868 0.90 SMN1; SMN2 (0.95) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL38658755 0.88 SMN1; SMN2 (0.91) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL9639138 0.86 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL6549000 0.85 SMN1; SMN2 (0.84) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL8013586 0.83 SMN1; SMN2 (0.81) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL15480466 0.83 SMN1; SMN2 (0.81) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL28658599 0.82 SMN1; SMN2 (0.88) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL10587847 0.82 ALDH1A1 (0.83) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105879-A Synthesis method of 5- (4-chlorobutyl) -1-cyclohexyl-1, 2,3, 4-tetrazole 河北科技大学 2023-11-24 CN claimed
CN-111233777-A Synthesis method of N-cyclohexyl-5- (4-chlorobutyl) -1H-tetrazole 上海立科药物化学有限公司 2020-06-05 CN claimed
CN-105111190-A Method for synthesizing cilostazol ZHEJIANG KINGLYUAN PHARMACEUTICAL COMPANY LTD 2015-12-02 CN claimed
CN-104744436-A Production method of cilostazol ZHANG YUN 2015-07-01 CN claimed
CN-100462360-C N-cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole synthesis method SHANGHAI RECORD PHARMACEUTICAL (CN) 2009-02-18 CN claimed
CN-1793129-A Tech. for synthetic (4-chlorobutyl) 1-cyclohexyl-1,2,3,4-tetrazole XU JIANQIANG (CN) 2006-06-28 CN claimed
CN-1733743-A N-cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole synthesis method SHANGHAI RECORD PHARMACEUTICAL (CN) 2006-02-15 CN claimed
CN-117105879-A Synthesis method of 5- (4-chlorobutyl) -1-cyclohexyl-1, 2,3, 4-tetrazole 河北科技大学 2023-11-24 CN disclosed
CN-117105879-A Synthesis method of 5- (4-chlorobutyl) -1-cyclohexyl-1, 2,3, 4-tetrazole 河北科技大学 2023-11-24 CN disclosed
WO-2022106669-A1 NEW PROCESS FOR THE MANUFACTURE OF TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO disclosed
CN-111233777-A Synthesis method of N-cyclohexyl-5- (4-chlorobutyl) -1H-tetrazole 上海立科药物化学有限公司 2020-06-05 CN disclosed
CN-111233777-A Synthesis method of N-cyclohexyl-5- (4-chlorobutyl) -1H-tetrazole 上海立科药物化学有限公司 2020-06-05 CN disclosed
CN-105111190-A Method for synthesizing cilostazol ZHEJIANG KINGLYUAN PHARMACEUTICAL COMPANY LTD 2015-12-02 CN disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed
CN-1733743-A N-cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole synthesis method SHANGHAI RECORD PHARMACEUTICAL (CN) 2006-02-15 CN disclosed
CN-1733743-A N-cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole synthesis method SHANGHAI RECORD PHARMACEUTICAL (CN) 2006-02-15 CN disclosed
WO-2005019204-A1 A PROCESS FOR THE PREPARATION OF CILOSTAZOL AND OF THE INTERMEDIATES THEREOF DIPHARMA S.P.A. (IT) 2005-03-03 WO disclosed
US-4962106-A Treating platelet activating factor mediated disorders G. D. SEARLE & CO. (US) 1990-10-09 US disclosed
US-4804658-A PLATELET-ACTIVATING FACTOR ANTAGONISTS G. D. SEARLE & CO. (US) 1989-02-14 US disclosed
EP-0260613-A2 Imidazopyridine derivatives, their preparation and their use as PAF-antagonists G.D. Searle & Co. (US) 1988-03-23 EP disclosed