SCHEMBL1503522

SCHEMBL1503522

CC(NC(=O)c1ccc(OCc2ccnc(-c3ccccc3)c2)cc1)C(C(=O)O)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.65
HTT P42858 1/20 0.45
ADAM10 O14672 2/20 0.44
HDAC1 Q13547 1/20 0.44
MMP3 P08254 1/20 0.44
GPR132 Q9UNW8 2/20 0.43
TP53 P04637 1/20 0.41
MMP1 P03956 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
PTPN1 P18031 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL1503632 0.87 ADAM17 (0.63) ADAM17HTTADAM10MMP3GPR132
SCHEMBL1503502 0.83 ADAM17 (0.87) ADAM17HTTADAM10HDAC1MMP3
SCHEMBL1503671 0.83 ADAM17 (0.87) ADAM17HTTADAM10HDAC1MMP3
SCHEMBL1503640 0.80 ADAM17 (0.81) ADAM17HTTADAM10HDAC1MMP3
SCHEMBL1503664 0.80 ADAM17 (0.52) ADAM17GRM5MRGPRX4
SCHEMBL1503517 0.79 ADAM17 (1.00) ADAM17HTTADAM10MMP3MMP1
SCHEMBL12076822 0.79 ADAM17 (1.00) ADAM17HTTADAM10MMP3MMP1
SCHEMBL1503525 0.78 ADAM17 (0.66) ADAM17ADAM10MMP3MMP1
SCHEMBL1504776 0.75 ADAM17 (0.63) ADAM17ADAM10HDAC1MMP3MMP1
SCHEMBL1503535 0.74 TP53 (0.43) ADAM17TP53

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