SCHEMBL3350808

SCHEMBL3350808

O=C(NCCc1cccc(Cl)c1)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.53
ALDH1A1 P00352 5/20 0.53
GLA P06280 1/20 0.53
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MC4R P32245 2/20 0.46
CNR1 P21554 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 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
SCHEMBL3349714 0.91 MC4R (0.57) TAAR1ALDH1A1GLAPOLBMC4R
SCHEMBL3346386 0.89 TAAR1 (0.48) TAAR1ALDH1A1GLATP53POLB
SCHEMBL3346695 0.89 CNR1 (0.50) TAAR1ALDH1A1GLAMC4RCNR1
SCHEMBL3350885 0.84 TAAR1 (0.47) TAAR1ALDH1A1POLBMC4RCNR1
SCHEMBL3348171 0.83 TAAR1 (0.53) TAAR1ALDH1A1GLATP53POLB
SCHEMBL3346450 0.82 FPR3 (0.48) ALDH1A1POLBMC4RCNR1KDM4E
SCHEMBL3346548 0.81 GPBAR1 (0.39) TAAR1ALDH1A1GLAMC4RKDM4E
SCHEMBL3350852 0.79 MC4R (0.37) TP53MC4R
SCHEMBL3350871 0.79 KCNH2 (0.57) TAAR1ALDH1A1GLATP53POLB
SCHEMBL3346679 0.78 MC4R (0.59) TAAR1ALDH1A1GLATP53POLB

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