SCHEMBL7654539

SCHEMBL7654539

O=C(Cc1ccncc1)Nc1ccc(N2CCCCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.56
WNT3A P56704 8/20 0.54
TRPV1 Q8NER1 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NR4A1 P22736 1/20 0.50
CACNA1H O95180 2/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 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
SCHEMBL12303054 0.81 WNT3A (0.82) WNT3A
SCHEMBL22777899 0.80 KDM4E (0.60) TRPV1NPC1RAB9AMAPTKDM4E
SCHEMBL21286267 0.77 RAB9A (0.68) WNT3ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22777877 0.76 RECQL (0.51) AOC3WNT3ATRPV1NPC1RAB9A
SCHEMBL7651621 0.76 KCNQ2 (0.47) TRPV1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL24645772 0.76 MAPT (0.67) TRPV1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7652890 0.76 KCNQ2 (0.55) TRPV1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL4969527 0.76 KCNQ3 (0.60) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22777906 0.76 TRPV1 (0.53) AOC3WNT3ATRPV1NPC1RAB9A
SCHEMBL22791539 0.76 TRPV1 (0.53) AOC3TRPV1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed