SCHEMBL7367383

SCHEMBL7367383

CC(C)(O)c1ccc(C#N)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.71
TRPV4 Q9HBA0 1/20 0.48
PTGES O14684 1/20 0.43
IDO1 P14902 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL2555215 0.85 AR (0.65) ARTRPV4IDO1
SCHEMBL21466386 0.79 AR (0.58) ARTRPV4
SCHEMBL11875183 0.79 AR (0.57) ARTRPV4IDO1MRGPRX4
SCHEMBL28994622 0.78 AR (0.45) ARPTGES
SCHEMBL6474353 0.78 AR (0.49) ARTRPV4
SCHEMBL952338 0.77 AR (0.65) ARTRPV4MRGPRX4
SCHEMBL10600692 0.76 TSHR (0.56) AR
SCHEMBL24480294 0.73 AR (0.44) AR
SCHEMBL29580065 0.73 AR (0.44) AR
SCHEMBL30602891 0.73 AR (0.44) ARPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed