SCHEMBL7365166

SCHEMBL7365166

NCc1ccc(N2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 7/20 0.50
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NCF1 P14598 2/20 0.47

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
SCHEMBL112580 0.95 ALDH1A1 (0.54) CHKAKMT2AKDM4EMEN1NPC1
SCHEMBL111728 0.93 ALDH1A1 (0.57) CHKAKMT2AKDM4EMEN1NPC1
SCHEMBL4029277 0.93 ALDH1A1 (0.57) CHKAKMT2AKDM4EMEN1NPC1
SCHEMBL4029118 0.93 ALDH1A1 (0.57) CHKAKMT2AKDM4EMEN1NPC1
SCHEMBL12294725 0.91 HRH3 (0.48) CHKAKMT2AKDM4EALDH1A1GAA
SCHEMBL113454 0.87 CHKA (0.71) CHKAKMT2AKDM4EALDH1A1GAA
SCHEMBL25190342 0.85 MAPT (0.47) CHKAKMT2AKDM4EMEN1NPC1
SCHEMBL2351767 0.85 AGXT (0.46) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL12635598 0.85 ST14 (0.55) CHKAKMT2AKDM4EMEN1NPC1
SCHEMBL12298703 0.83 ADRB1 (0.50) KMT2AKDM4EMEN1ALDH1A1NCF1

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