SCHEMBL7889646

SCHEMBL7889646

O=C1CCN(C2CCc3cccc4cccc2c34)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
OPRM1 P35372 15/20 0.45
OPRL1 P41146 15/20 0.45
OPRK1 P41145 14/20 0.45
OPRD1 P41143 6/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 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
SCHEMBL7883594 0.88 OPRL1 (0.52) OPRM1OPRL1OPRK1OPRD1
SCHEMBL2245724 0.88 OPRL1 (0.52) OPRM1OPRL1OPRK1OPRD1
SCHEMBL550293 0.88 OPRL1 (0.52) OPRM1OPRL1OPRK1OPRD1
SCHEMBL7878453 0.83 CHRNA7 (0.65) CHRNA7OPRM1OPRL1OPRK1OPRD1
SCHEMBL7878773 0.83 CHRNA7 (0.65) CHRNA7OPRM1OPRL1OPRK1OPRD1
SCHEMBL7878455 0.83 CHRNA7 (0.65) CHRNA7OPRM1OPRL1OPRK1OPRD1
SCHEMBL30077049 0.83 CHRNA7 (0.65) CHRNA7OPRM1OPRL1OPRK1OPRD1
SCHEMBL30077103 0.83 CHRNA7 (0.65) CHRNA7OPRM1OPRL1OPRK1OPRD1
SCHEMBL7886593 0.79 OPRM1 (0.43) CHRNA7OPRM1OPRL1OPRK1OPRD1
Hydrochloric Acid SCHEMBL7878644 0.74 OPRL1 (0.51) OPRM1OPRL1OPRK1OPRD1

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 4 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
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