SCHEMBL8877006

SCHEMBL8877006

Cc1c(-c2ccccc2)oc2c(S(=O)(=O)N(C)CCO)cccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 9/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL8876844 0.81 LMNA (0.43) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875599 0.80 LMNA (0.45) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876969 0.80 LMNA (0.47) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876469 0.76 LMNA (0.64) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL5118184 0.76 LMNA (0.54) LMNAMAPTSMN1; SMN2NPSR1GAA
Hydrochloric Acid SCHEMBL8876767 0.75 HTR1A (0.61) LMNAMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL8876520 0.74 HTR1A (0.64) LMNAMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL8876468 0.74 LMNA (0.48) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL9567603 0.74 HTR1A (0.63) LMNAMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL8877742 0.73 LMNA (0.48) LMNAMAPTSMN1; SMN2NPSR1GAA

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
US-5403842-A Adrenergic blocking and antiserotonine agents; urogenital disorders including spasms of the urethral tract and prostrate problems RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-04-04 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