SCHEMBL8876249

SCHEMBL8876249

CSc1ccccc1OCCCl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HTR7 P34969 7/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 4/20 0.39
DRD2 P14416 4/20 0.39
HTR6 P50406 3/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 1/20 0.36
POLB P06746 1/20 0.36
ADRA1A P35348 1/20 0.35
JAK2 O60674 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6768095 0.82 CYP1A2 (0.44) SMN1; SMN2HTR7KDM4EHPGDSLC6A2
SCHEMBL7414992 0.81 KDM4E (0.61) SMN1; SMN2HTR7KDM4EHPGDHTR1A
SCHEMBL22400198 0.81 HSD17B10 (0.43) SMN1; SMN2HTR7HPGDSLC6A2SLC6A4
SCHEMBL18883696 0.81 CYP1A2 (0.56) HPGDSLC6A3MAPTTDP1L3MBTL1
SCHEMBL4314586 0.81 ALDH1A1 (0.45) SMN1; SMN2HTR7KDM4EHPGDSLC6A2
SCHEMBL10458625 0.81 KDM4E (0.41) SMN1; SMN2HTR7KDM4EHPGDHTR1A
SCHEMBL9323952 0.79 PTGS2 (0.41) SMN1; SMN2HTR7KDM4EHPGDHTR1A
SCHEMBL6848695 0.79 KDM4E (0.54) SMN1; SMN2HTR7KDM4EHPGDMAPT
SCHEMBL24495023 0.78 NCF1 (0.44) SMN1; SMN2HTR7KDM4EHPGDMAPT
SCHEMBL11847000 0.78 ALDH1A1 (0.52) HTR7KDM4ESLC6A2SLC6A4SLC6A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1040434-C Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1998-10-28 CN disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed
US-3932498-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1976-01-13 US disclosed