SCHEMBL7889657

SCHEMBL7889657

N#CC1(Nc2ccccc2)CCN([C@H]2Cc3cccc4cccc2c34)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.49
OPRM1 P35372 17/20 0.49
OPRK1 P41145 14/20 0.49
OPRD1 P41143 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL7885705 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7015691 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885443 0.90 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7883371 0.90 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7014225 0.90 SMN1; SMN2 (0.43) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885754 0.90 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7887890 0.88 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7878605 0.88 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7886394 0.88 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885289 0.87 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1113881-C 8-substituted-1,3,8-triaza-spiro [4,5] decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2003-07-09 CN disclosed
EP-0856514-B1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2001-06-13 EP disclosed
US-6071925-A ANTIDEPRESSANTS, ANTICONVULSANTS OR ANTIANXIETY AGENTS, ALSO FOR TREATMENT OF MEMORY LOSS IN ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-06-06 US disclosed
CN-1191862-A 8-substituted-1,3,8-triaza-spiro [4,5] decan-4-on derivatives HOFFMANN LA ROCHE (CH) 1998-09-02 CN disclosed
EP-0856514-A1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 EP disclosed