SCHEMBL873905

SCHEMBL873905

O=C(NCCCCN1CCCCC1)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)o1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
CHRNA7 P36544 3/20 0.47
NAMPT P43490 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HTR3A P46098 3/20 0.44
KCNH2 Q12809 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
SCHEMBL874535 0.94 NAMPT (0.48) DRD2DRD3CHRNA7NAMPTALDH1A1
SCHEMBL874022 0.86 CHRNA7 (0.41) DRD2DRD3CHRNA7NAMPTALDH1A1
SCHEMBL874135 0.85 NAMPT (0.41) DRD2DRD3CHRNA7NAMPTALDH1A1
SCHEMBL873709 0.84 CHRNA7 (0.41) DRD2DRD3CHRNA7NAMPTALDH1A1
SCHEMBL873865 0.83 NAMPT (0.42) CHRNA7NAMPTALDH1A1
SCHEMBL873871 0.81 NPC1 (0.42) CHRNA7NAMPTALDH1A1
SCHEMBL874184 0.79 NPC1 (0.41) CHRNA7NAMPTALDH1A1
SCHEMBL874187 0.79 NPC1 (0.46) CHRNA7ALDH1A1
SCHEMBL874536 0.79 NAMPT (0.45) CHRNA7NAMPTALDH1A1KCNH2
SCHEMBL874680 0.78 NPC1 (0.46) ALDH1A1

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-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed