SCHEMBL1503640

SCHEMBL1503640

COC(=O)[C@H](CNC(=O)c1ccc(OCc2ccnc(-c3ccccc3)c2)cc1)N1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.81
ADAM10 O14672 2/20 0.58
MMP3 P08254 1/20 0.58
HTT P42858 1/20 0.53
MMP1 P03956 1/20 0.53
HDAC1 Q13547 1/20 0.47
TP53 P04637 1/20 0.43

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
SCHEMBL1503502 0.93 ADAM17 (0.87) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503671 0.93 ADAM17 (0.87) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL12076822 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503517 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503590 0.86 ADAM17 (0.82) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL12077178 0.86 ADAM17 (0.82) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503641 0.85 ADAM17 (0.79) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503628 0.81 ADAM17 (0.80) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503625 0.81 ADAM17 (0.80) ADAM17ADAM10MMP3HTTMMP1
SCHEMBL1503522 0.80 ADAM17 (0.65) ADAM17ADAM10MMP3HTTMMP1

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