SCHEMBL8572736

SCHEMBL8572736

COC(=O)CCC1CN(c2ccc(C#N)cc2OC)C(=O)N1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRL1 P41146 5/20 0.43
SLC2A1 P11166 1/20 0.37
SLC2A2 P11168 1/20 0.37
SLC2A3 P11169 1/20 0.37
SCN9A Q15858 3/20 0.36
ELANE P08246 2/20 0.35
XIAP P98170 2/20 0.35
AR P10275 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 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
SCHEMBL8571508 0.90 HTR7 (0.37) OPRM1OPRL1ELANEMAPTKMT2A
SCHEMBL8575254 0.87 KMT2A (0.37) OPRM1OPRL1ELANEMAPTKMT2A
SCHEMBL8572795 0.86 ELANE (0.37) ELANEXIAP
SCHEMBL8573438 0.85 CTSG (0.40) ELANEMAPTALDH1A1
Hydrochloric Acid SCHEMBL8571485 0.84 CTSG (0.39) ELANEMAPTALDH1A1
SCHEMBL8575660 0.80 GRM5 (0.43) OPRM1OPRL1
SCHEMBL8575669 0.80 CTSG (0.39) ELANEMAPTALDH1A1
SCHEMBL8573886 0.80 HDAC1 (0.40) OPRM1OPRL1
SCHEMBL8571536 0.77 CASP3 (0.38) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL8577922 0.77 CHRM2 (0.41) ARALDH1A1HPGD

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed