SCHEMBL3350882

SCHEMBL3350882

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KIT P10721 5/20 0.39
PTGER4 P35408 2/20 0.39
PTGER2 P43116 1/20 0.39
MC4R P32245 3/20 0.38
PRCP P42785 2/20 0.38
MC5R P33032 2/20 0.38
MC3R P41968 2/20 0.38
MC1R Q01726 1/20 0.37
IDO1 P14902 1/20 0.37
MAPK1 P28482 2/20 0.36
ENPP2 Q13822 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3349710 0.90 KCNQ3 (0.46) KCNH2GAAHPGDSMN1; SMN2
SCHEMBL3380842 0.88 KCNH2 (0.40) KCNH2SMN1; SMN2KITPTGER4PTGER2
SCHEMBL3346567 0.86 KCNH2 (0.59) KCNH2PRCPMAPK1KMT2A
SCHEMBL3350804 0.85 MAPK1 (0.41) KCNH2KITMAPK1
SCHEMBL13365050 0.84 SSTR4 (0.39) KCNH2SMN1; SMN2MC4RMAPK1
SCHEMBL13364977 0.84 KCNH2 (0.60) KCNH2GAAHPGDSMN1; SMN2MC4R
SCHEMBL3347919 0.84 KCNH2 (0.60) KCNH2GAAHPGDSMN1; SMN2MC4R
SCHEMBL13365057 0.83 KCNH2 (0.38) KCNH2GAAHPGDSMN1; SMN2KIT
SCHEMBL3353143 0.82 KCNH2 (0.53) KCNH2GAAHPGDSMN1; SMN2MC4R
SCHEMBL13365101 0.81 KCNH2 (0.54) KCNH2GAAHPGDSMN1; SMN2MC4R

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 2 patents. 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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed