SCHEMBL9731504

SCHEMBL9731504

COC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CCNC(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.53
GPR17 Q13304 2/20 0.46
FBP1 P09467 1/20 0.46
CNR1 P21554 4/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL9730824 0.92 GRIN1 (0.64) GRIN1GPR17FBP1CNR1MAPT
SCHEMBL9731281 0.88 GRIN1 (0.67) GRIN1GPR17FBP1MAPTMEN1
SCHEMBL9731682 0.83 GRIN1 (0.54) GRIN1GPR17FBP1CNR1
SCHEMBL9731831 0.81 GRIN1 (0.80) GRIN1GPR17FBP1CNR1MAPT
SCHEMBL9739526 0.74 GRIN1 (0.77) GRIN1GPR17FBP1CNR1MEN1
SCHEMBL9732016 0.74 GRIN1 (0.60) GRIN1GPR17FBP1MAPTKMT2A
SCHEMBL9731514 0.72 GRIN1 (0.68) GRIN1GPR17FBP1POLB
SCHEMBL9740602 0.69 GRIN1 (1.00) GRIN1GPR17FBP1MAPTMEN1
SCHEMBL9740348 0.69 GRIN1 (0.81) GRIN1GPR17FBP1
SCHEMBL9740502 0.67 GRIN1 (0.66) GRIN1GPR17FBP1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992020649-A2 SUBSTITUTED 2-CARBOXYINDOLES HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-11-26 WO claimed
WO-1992020649-A2 SUBSTITUTED 2-CARBOXYINDOLES HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-11-26 WO disclosed
US-5145845-A Substituted 2-carboxylindoles having pharmaceutical activity WARNER-LAMBERT CO. (US) 1992-09-08 US disclosed