SCHEMBL7399516

SCHEMBL7399516

COC(=O)C(C)NC(=O)c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
SLC6A2 P23975 2/20 0.55
CHRNA1 P02708 1/20 0.55
CHRNG P07510 1/20 0.55
ITGA5 P08648 1/20 0.55
CHRNB1 P11230 1/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
SLC6A4 P31645 1/20 0.55
CHRNA3 P32297 1/20 0.55
CYP2C19 P33261 1/20 0.55
HRH1 P35367 1/20 0.55
CHRNA7 P36544 1/20 0.55
OPRK1 P41145 1/20 0.55
CHRNA4 P43681 1/20 0.55

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
SCHEMBL2159283 0.87 HPGD (0.61) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL22151090 0.86 HPGD (0.59) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL8802537 0.86 HPGD (0.59) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL5448808 0.85 HPGD (0.70) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL5747070 0.84 HPGD (0.61) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL2159492 0.84 HPGD (0.61) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL31360716 0.84 GRN (0.53) HPGDMEN1KMT2ARAB9ALMNA
SCHEMBL31360502 0.84 GRN (0.53) HPGDMEN1KMT2ARAB9ALMNA
SCHEMBL4173714 0.83 ATM (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16799699 0.82 PDE5A (0.47) HPGDNPC1RAB9AGPR139

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
CN-1376143-A Carboxylic acid derivatives and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2002-10-23 CN disclosed
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed