SCHEMBL6583049

SCHEMBL6583049

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.60
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL6583700 0.92 NAMPT (0.68) NAMPT
SCHEMBL6585938 0.92 NAMPT (0.63) NAMPTALDH1A1
SCHEMBL6585453 0.91 NAMPT (0.61) NAMPTALDH1A1
SCHEMBL6581576 0.91 NAMPT (0.65) NAMPTKDM4EOPRM1OPRD1ALDH1A1
SCHEMBL6580412 0.91 NAMPT (0.60) NAMPTALDH1A1
SCHEMBL6584349 0.91 NAMPT (0.61) NAMPT
SCHEMBL6582863 0.89 NAMPT (0.59) NAMPTALDH1A1
SCHEMBL6582437 0.86 NAMPT (0.57) NAMPT
SCHEMBL6582221 0.85 NAMPT (0.65) NAMPT
SCHEMBL6583262 0.83 NAMPT (0.56) 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