SCHEMBL7080822

SCHEMBL7080822

CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O.CN1C(=O)C(c2ccccc2)C(=O)N(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRL1 P41146 5/20 0.43
OPRK1 P41145 4/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL94928 0.81 ALDH1A1 (0.53) OPRM1OPRL1OPRK1ALDH1A1CYP2C9
SCHEMBL1426482 0.79 ALDH1A1 (0.51) OPRM1OPRL1OPRK1ALDH1A1CYP2C9
Propane SCHEMBL9334285 0.79 ALDH1A1 (0.51) OPRM1OPRL1OPRK1ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL9420413 0.78 ALDH1A1 (0.50) OPRM1OPRL1OPRK1ALDH1A1CYP2C9
SCHEMBL1639821 0.77 NPSR1 (0.54) NPSR1ALDH1A1CYP2C9CYP2C19MCOLN3
SCHEMBL17358736 0.74 HSD11B1 (0.53) OPRM1OPRL1OPRK1NPSR1ALDH1A1
SCHEMBL15131577 0.71 NPSR1 (0.59) OPRM1OPRL1OPRK1NPSR1ALDH1A1
SCHEMBL21834901 0.71 ALDH1A1 (0.48) OPRM1OPRL1OPRK1ALDH1A1CYP2C9
SCHEMBL21292115 0.71 TSHR (0.40) NPSR1ALDH1A1LMNAHSD11B1
SCHEMBL64294 0.71 KMT2A (0.48) ALDH1A1LMNA

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
EP-1056432-B1 IMPROVED CATALYTIC POLYMERIZATION ACCELERATOR SYSTEMS MYCONE DENTAL SUPPLY COMPANY I (US) 2003-07-09 EP disclosed