SCHEMBL7701370

SCHEMBL7701370

Cc1ccccc1N1C=NC(=O)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CCR5 P51681 4/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL20187119 0.86 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7706497 0.84 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7701290 0.83 LMNA (0.50) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876761 0.82 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7703855 0.81 MCHR1 (0.47) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL16876851 0.80 RORC (0.42) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876815 0.80 EEF2K (0.42) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7706380 0.80 DRD4 (0.50) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876782 0.79 CHRNA7 (0.47) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL5556020 0.79 DRD2 (0.47) OPRL1OPRM1OPRD1OPRK1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 EP disclosed
US-6043366-A USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. HOFFMAN-LA ROCHE INC. (US) 2000-03-28 US disclosed
EP-0921125-A1 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed