SCHEMBL9030792

SCHEMBL9030792

CCOC1[C@@H]2CSC(C3CCCCC3)N2C(=O)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL9032274 0.99 OPRL1 (0.45) OPRL1OPRM1MEN1KMT2AGAA
SCHEMBL9031331 0.84 KMT2A (0.44) OPRL1OPRM1MEN1KMT2AGAA
SCHEMBL9032206 0.82 OPRM1 (0.41) OPRL1OPRM1MEN1KMT2AGAA
SCHEMBL9032856 0.81 OPRM1 (0.41) OPRL1OPRM1MEN1KMT2AGAA
SCHEMBL9031546 0.80 MEN1 (0.54) OPRL1OPRM1MEN1KMT2AGAA
SCHEMBL9032170 0.80 MEN1 (0.46) OPRL1OPRM1MEN1KMT2AGAA
SCHEMBL9032752 0.78 MEN1 (0.57) MEN1KMT2APOLB
SCHEMBL9032560 0.78 MEN1 (0.47) MEN1KMT2AGAAHPGDATM
SCHEMBL9030823 0.78 MEN1 (0.41) MEN1KMT2AGAAHPGDATM
SCHEMBL9032822 0.78 MEN1 (0.51) OPRL1OPRM1MEN1KMT2AGAA

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-0415166-B1 Process for the preparation of cyanohydantoines MERCK PATENT GMBH (DE) 1996-11-20 EP disclosed