SCHEMBL8878045

SCHEMBL8878045

Cc1c(-c2ccco2)oc2c(C(=O)O)cccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 5/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL8878799 0.84 ALDH1A1 (0.50) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL2480956 0.81 LMNA (0.63) LMNAMAPTSMN1; SMN2NPSR1GAA
Hydrochloric Acid SCHEMBL10956791 0.80 LMNA (0.61) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876180 0.79 LMNA (0.60) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876127 0.79 LMNA (0.59) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL10842066 0.78 LMNA (0.48) LMNAMAPTSMN1; SMN2NPSR1GAA
Hydrochloric Acid SCHEMBL10985577 0.78 LMNA (0.58) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875623 0.78 LMNA (0.56) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876297 0.78 CYSLTR1 (0.45) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875692 0.77 LMNA (0.47) 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
CN-1079738-A Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1993-12-22 CN 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