SCHEMBL3353265

SCHEMBL3353265

O=C(NCCCc1ccccc1)[C@@H]1CNC[C@H]1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.53
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TAAR1 Q96RJ0 4/20 0.45
MEN1 O00255 2/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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 0.93 MC4R (0.62) MC4RALDH1A1TAAR1GLA
SCHEMBL3346679 0.84 MC4R (0.59) MC4RKMT2AALDH1A1TAAR1MEN1
SCHEMBL3346376 0.82 MC4R (0.63) MC4RALDH1A1TAAR1GLASMN1; SMN2
SCHEMBL3353136 0.81 TAAR1 (0.50) MC4RKMT2AALDH1A1TAAR1GLA
SCHEMBL3346234 0.80 MC4R (0.71) MC4RKMT2AALDH1A1TAAR1
SCHEMBL3347960 0.79 CNR1 (0.52) MC4RKMT2AALDH1A1TAAR1MEN1
SCHEMBL3349847 0.76 MC4R (0.58) MC4RKMT2AALDH1A1TAAR1MEN1
SCHEMBL3348167 0.76 MC4R (0.60) MC4RKMT2AALDH1A1TAAR1
SCHEMBL3410126 0.76 MC4R (0.57) MC4RTAAR1SMN1; SMN2
SCHEMBL3346447 0.75 MC4R (0.63) MC4RALDH1A1TAAR1GLALMNA

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