SCHEMBL3346908

SCHEMBL3346908

O=C(NCCc1cccnc1)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
MC4R P32245 2/20 0.47
NAMPT P43490 1/20 0.47
HDAC8 Q9BY41 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TBXAS1 P24557 2/20 0.42
PTAFR P25105 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL3346376 0.87 MC4R (0.63) MAPTMC4RNPC1GAARAB9A
SCHEMBL3347142 0.84 MC4R (0.59) MC4RNAMPTKMT2AMEN1NPC1
SCHEMBL3353041 0.81 CNR1 (0.55) MAPTMC4RGAAROCK2ALDH1A1
SCHEMBL3347924 0.80 TAAR1 (0.52) MAPTMC4RROCK2ALDH1A1CASP1
SCHEMBL3348201 0.80 CNR1 (0.54) MAPTMC4RRAB9ASMN1; SMN2ROCK2
SCHEMBL3346278 0.78 CNR1 (0.57) MC4RROCK2ALDH1A1SLC6A4
SCHEMBL3346234 0.78 MC4R (0.71) MC4RKMT2AGAAROCK2ALDH1A1
SCHEMBL3410126 0.77 MC4R (0.57) MC4RNPC1GAARAB9ASMN1; SMN2
SCHEMBL2226816 0.77 MC4R (0.68) MC4RALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL30585932 0.77 ALDH1A1 (0.52) MC4RNAMPTHDAC8KMT2AMEN1

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