SCHEMBL3380087

SCHEMBL3380087

O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.66
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SIRT1 Q96EB6 1/20 0.60
HTR1A P08908 1/20 0.59
GOT1 P17174 2/20 0.58
MTNR1A P48039 2/20 0.57
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
POLB P06746 1/20 0.52
BCHE P06276 1/20 0.52

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
SCHEMBL3346412 0.81 CNR1 (0.53) MC4R
SCHEMBL3346376 0.80 MC4R (0.63) MC4RNPC1RAB9AALDH1A1POLB
SCHEMBL3348201 0.76 CNR1 (0.54) MC4RRAB9AALDH1A1PKMPOLB
SCHEMBL2226816 0.76 MC4R (0.68) MC4RALDH1A1TSHR
SCHEMBL4394464 0.75 MTNR1A (0.90) MC4RMEN1KMT2AHTR1AMTNR1A
SCHEMBL3346481 0.74 KCNH2 (0.47) MC4RMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3347924 0.74 TAAR1 (0.52) MC4RALDH1A1LMNAPOLB
SCHEMBL3350700 0.73 ROCK2 (0.42) MC4RALDH1A1
SCHEMBL3346908 0.73 MAPT (0.48) MC4RMEN1KMT2ANPC1RAB9A
SCHEMBL3353041 0.73 CNR1 (0.55) MC4RALDH1A1TSHRPOLB

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