SCHEMBL1503584

SCHEMBL1503584

COC(=O)[C@H](CNC(=O)c1ccc(OCc2ccnc(-c3ccccc3C(F)(F)F)c2)cc1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.65
ADAM10 O14672 2/20 0.46
MMP3 P08254 1/20 0.46
MMP1 P03956 1/20 0.41
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ATM Q13315 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 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
SCHEMBL10475836 0.93 ADAM17 (0.68) ADAM17ADAM10MMP3MMP1HTT
SCHEMBL10475832 0.93 ADAM17 (0.68) ADAM17ADAM10MMP3MMP1HTT
SCHEMBL1503484 0.92 ADAM17 (0.77) ADAM17ADAM10MMP3MMP1
SCHEMBL1503486 0.92 ADAM17 (0.77) ADAM17ADAM10MMP3MMP1
SCHEMBL1503664 0.82 ADAM17 (0.52) ADAM17MRGPRX4RAF1BRAF
SCHEMBL1503586 0.81 ADAM17 (0.51) ADAM17MRGPRX4RAF1BRAF
SCHEMBL1503546 0.81 ADAM17 (0.79) ADAM17ADAM10MMP3ATM
SCHEMBL1503640 0.79 ADAM17 (0.81) ADAM17ADAM10MMP3MMP1HTT
SCHEMBL1503562 0.79 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1
SCHEMBL1503556 0.79 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1

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-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed