SCHEMBL18779753

SCHEMBL18779753

CC1CCc2ccc(N)cc2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.41
OPRK1 P41145 13/20 0.41
OPRM1 P35372 12/20 0.41
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL21115905 0.83 OPRD1 (0.37) OPRD1OPRK1OPRM1GRIN2B
SCHEMBL1950165 0.82 OPRM1 (0.44) OPRD1OPRK1OPRM1CA9KDM4E
SCHEMBL7573698 0.76 SRD5A1 (0.43)
SCHEMBL28172775 0.73 OPRD1 (0.35) OPRD1OPRK1OPRM1CA9KDM4E
SCHEMBL15727987 0.71 POLB (0.39) OPRD1OPRK1OPRM1KDM4EMEN1
SCHEMBL13538865 0.70 PDK2 (0.38) OPRD1OPRK1CA9KDM4EMEN1
SCHEMBL13538862 0.70 PDK2 (0.38) OPRD1OPRK1CA9KDM4EMEN1
SCHEMBL1951446 0.70 GRIN2B (0.37) OPRD1OPRK1OPRM1CA9KDM4E
SCHEMBL23715381 0.70 OPRD1 (0.44) OPRD1OPRK1OPRM1GRIN2B
SCHEMBL11309510 0.69 KDM4E (0.39) OPRD1OPRK1OPRM1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 US disclosed