SCHEMBL875099

SCHEMBL875099

CCn1nc(-c2ccc(NC(=O)NCc3cccnc3)cc2)cc1C(=O)NCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.53
CHRNA7 P36544 1/20 0.50
POLB P06746 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 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
SCHEMBL874907 0.81 NAMPT (0.47) NAMPTCHRNA7
SCHEMBL875943 0.80 NAMPT (0.48) NAMPTCHRNA7POLB
SCHEMBL3051516 0.80 NAMPT (0.51) NAMPTCHRNA7POLBABL1BCR
SCHEMBL3058510 0.79 NAMPT (0.51) NAMPTCHRNA7POLBABL1BCR
SCHEMBL875445 0.79 NAMPT (0.46) NAMPTCHRNA7
SCHEMBL874909 0.78 CHRNA7 (0.47) NAMPTCHRNA7POLB
SCHEMBL874894 0.77 NAMPT (0.46) NAMPTCHRNA7
SCHEMBL3057576 0.77 NAMPT (0.51) NAMPTCHRNA7POLBABL1BCR
SCHEMBL1568826 0.77 NAMPT (0.46) NAMPTCHRNA7POLBABL1BCR
SCHEMBL3055667 0.76 NAMPT (0.51) NAMPTCHRNA7

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
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed