SCHEMBL3347142

SCHEMBL3347142

O=C(NCCc1ccccc1)[C@@H]1CNC[C@H]1c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.59
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAMPT P43490 4/20 0.49
TAAR1 Q96RJ0 4/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ROCK2 O75116 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
BCL6 P41182 1/20 0.44

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
SCHEMBL3346234 0.88 MC4R (0.71) MC4RKMT2ATAAR1ALDH1A1POLB
SCHEMBL3346908 0.84 MAPT (0.48) MC4RMEN1NPC1RAB9AKMT2A
SCHEMBL3410126 0.82 MC4R (0.57) MC4RNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL3346376 0.80 MC4R (0.63) MC4RNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL22178742 0.80 MC4R (0.88) MC4RMEN1KMT2ATAAR1ALDH1A1
SCHEMBL3348194 0.80 KCNH2 (0.63) MC4RTAAR1POLBGAA
SCHEMBL3346679 0.80 MC4R (0.59) MC4RMEN1NPC1RAB9AKMT2A
SCHEMBL3353142 0.79 MC4R (0.62) MC4RTAAR1ALDH1A1POLBGAA
SCHEMBL1816169 0.79 KDM4E (0.52) NAMPTALDH1A1ROCK2
SCHEMBL29548230 0.79 KDM4E (0.52) NAMPTALDH1A1ROCK2

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-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO claimed