SCHEMBL3353041

SCHEMBL3353041

O=C(NCCc1cccc(F)c1)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.55
TAAR1 Q96RJ0 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
MC4R P32245 2/20 0.47
ABCB1 P08183 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ROCK2 O75116 4/20 0.43
CDC42 P60953 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKG2 Q13237 1/20 0.43
PKN2 Q16513 1/20 0.43
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 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
SCHEMBL3353136 0.92 TAAR1 (0.50) CNR1TAAR1ALDH1A1GLAMC4R
SCHEMBL3353044 0.90 KCNH2 (0.46) CNR1TAAR1ALDH1A1GLAMC4R
SCHEMBL3346495 0.88 DPP4 (0.50) CNR1TAAR1ALDH1A1GLAMC4R
SCHEMBL3353112 0.87 MC4R (0.43) CNR1TAAR1ALDH1A1GLAMC4R
SCHEMBL3347924 0.87 TAAR1 (0.52) CNR1TAAR1ALDH1A1MC4RCASP1
SCHEMBL3346376 0.87 MC4R (0.63) CNR1TAAR1ALDH1A1GLAMC4R
SCHEMBL22179089 0.85 MC4R (0.63) CNR1TAAR1ALDH1A1GLAMC4R
SCHEMBL22179092 0.85 MC4R (0.63) CNR1TAAR1ALDH1A1GLAMC4R
SCHEMBL3346278 0.85 CNR1 (0.57) CNR1TAAR1ALDH1A1GLAMC4R
Hydrochloric Acid SCHEMBL22160598 0.84 MC4R (0.61) CNR1TAAR1ALDH1A1GLAMC4R

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