SCHEMBL3346679

SCHEMBL3346679

O=C(NCCc1ccccc1)[C@@H]1CNC[C@H]1c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.59
TAAR1 Q96RJ0 8/20 0.56
ALDH1A1 P00352 5/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL3353142 0.91 MC4R (0.62) MC4RTAAR1ALDH1A1GLAHPGD
SCHEMBL3346234 0.88 MC4R (0.71) MC4RTAAR1ALDH1A1KMT2APOLB
SCHEMBL3346376 0.87 MC4R (0.63) MC4RTAAR1ALDH1A1GLANPC1
SCHEMBL3349847 0.85 MC4R (0.58) MC4RTAAR1ALDH1A1GLAHPGD
SCHEMBL3353265 0.84 MC4R (0.53) MC4RTAAR1ALDH1A1GLAMEN1
SCHEMBL3348167 0.83 MC4R (0.60) MC4RTAAR1ALDH1A1KMT2APOLB
SCHEMBL3353136 0.81 TAAR1 (0.50) MC4RTAAR1ALDH1A1GLAKMT2A
SCHEMBL3346356 0.81 KCNH2 (0.57) MC4RTAAR1ALDH1A1GLAHPGD
SCHEMBL3348171 0.81 TAAR1 (0.53) MC4RTAAR1ALDH1A1GLAHPGD
SCHEMBL3346447 0.80 MC4R (0.63) MC4RTAAR1ALDH1A1GLAHPGD

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