SCHEMBL7374751

SCHEMBL7374751

N#Cc1ccc(N2CC(O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
HRH3 Q9Y5N1 7/20 0.51
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
AR P10275 1/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CHEK1 O14757 1/20 0.41
NOTUM Q6P988 1/20 0.40
DPP4 P27487 1/20 0.40
PREP P48147 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL320725 0.85 AR (0.60) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL10277569 0.85 AR (0.60) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL20076216 0.85 AR (0.60) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL14637983 0.83 AR (0.50) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL2455962 0.81 KDM4E (0.58) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL31720517 0.80 KDM4E (0.52) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL19570981 0.80 HRH3 (0.55) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL31753332 0.79 HRH3 (0.48) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL15516404 0.78 HRH3 (0.58) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL24989415 0.77 HRH3 (0.49) KDM4ETP53HRH3CHRNA10CHRNA9

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