SCHEMBL3346447

SCHEMBL3346447

O=C(NCCc1ccccc1)[C@@H]1CNC[C@H]1c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.63
TAAR1 Q96RJ0 7/20 0.52
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DPP4 P27487 1/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 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
SCHEMBL3349847 0.89 MC4R (0.58) MC4RTAAR1GAAPOLBNPC1
SCHEMBL3346555 0.88 MC4R (0.68) MC4RALDH1A1HSD17B10LMNAHPGD
SCHEMBL3346234 0.83 MC4R (0.71) MC4RTAAR1GAAPOLBALDH1A1
SCHEMBL3346376 0.83 MC4R (0.63) MC4RTAAR1GAAPOLBNPC1
SCHEMBL22178742 0.83 MC4R (0.88) MC4RTAAR1GAAPOLBALDH1A1
SCHEMBL3353142 0.82 MC4R (0.62) MC4RTAAR1GAAPOLBALDH1A1
Hydrochloric Acid SCHEMBL22160650 0.81 MC4R (0.86) MC4RTAAR1GAAPOLBALDH1A1
SCHEMBL3346679 0.80 MC4R (0.59) MC4RTAAR1GAAPOLBNPC1
SCHEMBL1819481 0.79 SLC6A3 (0.47) MC4RPOLBDPP4
SCHEMBL1819484 0.79 SLC6A3 (0.47) MC4RPOLBDPP4

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