SCHEMBL92778

SCHEMBL92778

CN1CCC(O)(c2ccccc2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.45
OPRL1 P41146 10/20 0.45
OPRD1 P41143 9/20 0.45
OPRK1 P41145 9/20 0.45
ADRA2C P18825 1/20 0.44
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 1/20 0.41
CYP1A2 P05177 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 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
SCHEMBL17888234 0.84 OPRM1 (0.62) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL2079404 0.82 ALOX15 (0.41) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL83658 0.82 OPRL1 (0.42) OPRM1OPRL1OPRD1OPRK1
SCHEMBL1703171 0.79 ALOX15 (0.38) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL7102084 0.79 ALOX15 (0.38) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL29710660 0.79 ALOX15 (0.38) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL16565590 0.79 OPRL1 (0.51) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL8049532 0.79 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL632646 0.77 OPRM1 (0.37) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL7101793 0.77 OPRM1 (0.37) OPRM1OPRL1OPRD1OPRK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-4558049-A Antipsycotic benzoxazines FARMITALIA CARLO ERBA S.P.A. (IT) 1985-12-10 US disclosed