SCHEMBL3705612

SCHEMBL3705612

[C]1Cc2ccccc2CNN1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.37
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRCP P42785 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL37705 0.76 PNMT (0.39) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL29374426 0.74 PNMT (0.50) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL214465 0.74 PNMT (0.50) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL209284 0.68 NPC1 (0.34) ALOX15HSD17B10HTR2C
SCHEMBL300921 0.68 PNMT (0.32) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL10973923 0.64 NOS3 (0.31)
SCHEMBL10320905 0.64 HTR2C (0.52) PNMTCD44MAOBPRCPHTR2C
SCHEMBL20477699 0.63 TSHR (0.42) PNMTCD44MAOBHTR2C
SCHEMBL157430 0.63
SCHEMBL1623564 0.63

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP claimed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO claimed