SCHEMBL7889459

SCHEMBL7889459

NC(=O)C1(Nc2ccccc2)CCN([C@@H]2CCc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.48
OPRK1 P41145 5/20 0.48
OPRL1 P41146 5/20 0.48
OPRD1 P41143 4/20 0.48
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR2C P28335 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
HSD11B1 P28845 2/20 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
SCHEMBL7878770 1.00 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL7878767 1.00 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL7878790 0.93 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL7883748 0.93 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL8285372 0.79 SLC18A3 (0.50) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL11725279 0.78 CA12 (0.46) OPRM1OPRK1OPRD1CA12CA1
SCHEMBL7886369 0.76 SMN1; SMN2 (0.48) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL7886366 0.76 SMN1; SMN2 (0.48) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL7887827 0.76 SMN1; SMN2 (0.48) OPRM1OPRK1OPRL1OPRD1CA12
SCHEMBL10274478 0.76 CA12 (0.56) OPRM1OPRK1OPRD1CA12CA1

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-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
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