SCHEMBL5234590

SCHEMBL5234590

CN(C)C1(c2ccccc2)CCC(NC(=O)CNC(=O)CCCCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.60
OPRM1 P35372 9/20 0.60
HPGD P15428 2/20 0.52
RECQL P46063 2/20 0.52
HTT P42858 1/20 0.52
MTNR1A P48039 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47

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
Hydrochloric Acid SCHEMBL5200539 0.99 OPRL1 (0.61) OPRL1OPRM1HPGDRECQLHTT
SCHEMBL5202013 0.99 OPRL1 (0.61) OPRL1OPRM1HPGDRECQLHTT
Hydrochloric Acid SCHEMBL5201649 0.98 OPRL1 (0.61) OPRL1OPRM1HPGDRECQLHTT
SCHEMBL4849056 0.93 OPRL1 (0.64) OPRL1OPRM1HPGDRECQLHTT
Hydrochloric Acid SCHEMBL4850695 0.92 OPRL1 (0.65) OPRL1OPRM1HPGDRECQLHTT
SCHEMBL6165082 0.87 OPRL1 (0.58) OPRL1OPRM1HPGDRECQLHTT
SCHEMBL6168849 0.86 OPRL1 (0.59) OPRL1OPRM1HPGDRECQLHTT
SCHEMBL5165880 0.84 OPRL1 (0.73) OPRL1OPRM1HPGDRECQLHTT
Hydrochloric Acid SCHEMBL5167184 0.83 OPRL1 (0.72) OPRL1OPRM1HPGDRECQLHTT
Hydrochloric Acid SCHEMBL5339275 0.82 OPRL1 (0.60) OPRL1OPRM1HPGDRECQLMTNR1A

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-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP claimed