SCHEMBL7886366

SCHEMBL7886366

N#CC1(Nc2ccccc2)CCN([C@H]2CCc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
OPRM1 P35372 5/20 0.47
OPRK1 P41145 5/20 0.47
OPRL1 P41146 5/20 0.47
OPRD1 P41143 4/20 0.47
CHRNA7 P36544 1/20 0.45
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
HSD11B1 P28845 2/20 0.38
CYP1A2 P05177 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL7887827 1.00 SMN1; SMN2 (0.48) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7886369 1.00 SMN1; SMN2 (0.48) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7878565 0.93 CHRNA7 (0.49) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7878435 0.93 CHRNA7 (0.49) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7014225 0.89 SMN1; SMN2 (0.43) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7007700 0.82 OPRL1 (0.54) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7015691 0.80 OPRL1 (0.49) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7889657 0.80 OPRL1 (0.49) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7885705 0.80 OPRL1 (0.49) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL7887916 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CA12CA1CA2CA4

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