SCHEMBL6581576

SCHEMBL6581576

C#CCN(Cc1cc2c(=O)n(C)c(CN3CCN(c4ccccc4)CC3)nc2cc1Cl)c1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.65
KDM4E B2RXH2 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GRM2 Q14416 1/20 0.40

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
SCHEMBL6583938 0.92 NAMPT (0.67) NAMPT
SCHEMBL6902914 0.92 NAMPT (0.73) NAMPT
SCHEMBL6583049 0.91 NAMPT (0.60) NAMPTKDM4EOPRM1OPRD1ALDH1A1
SCHEMBL6790569 0.91 NAMPT (0.66) NAMPTALDH1A1
SCHEMBL6583098 0.90 NAMPT (0.66) NAMPT
SCHEMBL6582292 0.90 NAMPT (0.64) NAMPT
SCHEMBL6580507 0.90 NAMPT (0.65) NAMPT
SCHEMBL6582182 0.88 NAMPT (0.63) NAMPT
SCHEMBL6584636 0.87 NAMPT (0.87) NAMPT
SCHEMBL6580435 0.84 NAMPT (0.71) NAMPT

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
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO disclosed