SCHEMBL14625864

SCHEMBL14625864

O=CN1Cc2ccc(C(=O)NCCO)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.54
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK14 Q16539 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
SCHEMBL14590643 0.82 NAMPT (0.55) NAMPTHPGDPOLBHTT
SCHEMBL13236584 0.76 ALDH1A1 (0.50) NAMPTPOLBKDM4EALDH1A1
SCHEMBL14625863 0.74 HSD17B3 (0.50) NAMPTPOLBKDM4EALDH1A1
SCHEMBL6622210 0.74 HPGD (0.54) NAMPTHPGDPOLBHTTKDM4E
SCHEMBL620074 0.71 POLB (0.66) HPGDPOLBHTTKDM4EALDH1A1
SCHEMBL3710047 0.71 NAMPT (1.00) NAMPT
SCHEMBL14626051 0.71 AKR1C3 (0.42) HPGDALDH1A1MAPK14
SCHEMBL19609464 0.70 HDAC6 (0.54)
SCHEMBL19339187 0.70 TERT (0.51) NAMPT
SCHEMBL14626151 0.70 HPGD (0.51) HPGDPOLBALDH1A1

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-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed