SCHEMBL8575660

SCHEMBL8575660

COC(=O)CCC1CN(c2ccc(C#N)cn2)C(=O)N1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
CHRM4 P08173 3/20 0.40
CHRM2 P08172 2/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
PARP1 P09874 5/20 0.38
PARP2 Q9UGN5 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
SMO Q99835 1/20 0.38

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
SCHEMBL8571333 0.87 PKM (0.38) GRM5
SCHEMBL8573438 0.86 CTSG (0.40) CHRM4CHRM2
Hydrochloric Acid SCHEMBL8571485 0.85 CTSG (0.39) CHRM4CHRM2
SCHEMBL8571508 0.81 HTR7 (0.37) OPRM1OPRL1
SCHEMBL8575669 0.81 CTSG (0.39) CHRM4CHRM2
SCHEMBL8572736 0.80 OPRM1 (0.43) OPRM1OPRL1
SCHEMBL8575254 0.79 KMT2A (0.37) CHRM2OPRM1OPRL1
SCHEMBL8573886 0.79 HDAC1 (0.40) CHRM4CHRM2OPRM1OPRL1
SCHEMBL8572795 0.78 ELANE (0.37)
SCHEMBL8577063 0.76 AR (0.43)

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