SCHEMBL6167688

SCHEMBL6167688

CC(C)C1CCC(N2CCC3(CCc4ccccc43)CC2)CC1.c1ccc2c(c1)CC(N1CCC3(CCc4ccccc43)CC1)C2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.56
OPRM1 P35372 11/20 0.56
OPRK1 P41145 8/20 0.56
SLC18A3 Q16572 2/20 0.54
SIGMAR1 Q99720 3/20 0.50
OPRD1 P41143 1/20 0.49

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
SCHEMBL3818190 0.95 OPRL1 (0.61) OPRL1OPRM1OPRK1SLC18A3SIGMAR1
SCHEMBL3817548 0.86 SLC18A3 (0.69) OPRL1OPRM1SLC18A3SIGMAR1
SCHEMBL3825180 0.81 SLC18A3 (0.63) OPRL1OPRM1OPRK1SLC18A3SIGMAR1
SCHEMBL3816106 0.78 SIGMAR1 (0.68) OPRL1OPRM1SLC18A3SIGMAR1
SCHEMBL14467581 0.76 SIGMAR1 (0.58) OPRL1OPRM1SLC18A3SIGMAR1
SCHEMBL3810340 0.76 SIGMAR1 (0.54) OPRL1OPRM1OPRK1SLC18A3SIGMAR1
SCHEMBL12084449 0.74 SIGMAR1 (0.48) OPRL1OPRM1OPRK1SLC18A3SIGMAR1
SCHEMBL21179827 0.72 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3810797 0.72 SIGMAR1 (0.60) OPRL1OPRM1OPRK1SLC18A3SIGMAR1
SCHEMBL13000734 0.71 SIGMAR1 (0.65) SLC18A3SIGMAR1

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-1385514-A4 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2005-04-13 EP disclosed
EP-1385514-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS Euro-Celtique S.A. (LU) 2004-02-04 EP disclosed
WO-2002085354-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2002-10-31 WO disclosed