SCHEMBL7377948

SCHEMBL7377948

CN(C(=O)c1ccc(N)cc1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.62
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 1/20 0.54
MLYCD O95822 1/20 0.47
HTT P42858 2/20 0.47
NOTUM Q6P988 1/20 0.44
GRM1 Q13255 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
MAOA P21397 1/20 0.43
OXTR P30559 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNA5 P22460 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
HDAC4 P56524 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
SCHEMBL6237453 0.86 KDM4E (0.68) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL96022 0.85 TRPV1 (0.62) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL13096185 0.84 TRPV1 (0.52) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL12978258 0.84 TRPV1 (0.61) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL12977961 0.82 TRPV1 (0.60) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL12977938 0.82 HTT (0.71) TRPV1KDM4EKMT2AHTTNPC1
SCHEMBL2897595 0.82 TRPV1 (0.53) TRPV1KDM4EKMT2AMLYCDNOTUM
SCHEMBL12977783 0.81 TRPV1 (0.69) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL13095806 0.81 TRPV1 (0.69) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL790740 0.81 TRPV1 (0.57) TRPV1KDM4EKMT2AMLYCDHTT

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed