SCHEMBL28058440

SCHEMBL28058440

[CH2]C(CCCCC)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.47
OPRD1 P41143 11/20 0.47
OPRK1 P41145 11/20 0.47
OPRL1 P41146 11/20 0.47
EPHX2 P34913 1/20 0.41
EPHX1 P07099 3/20 0.39
AOC3 Q16853 1/20 0.39
KMT2A Q03164 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
SCHEMBL7470789 0.98 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1EPHX2
SCHEMBL16954110 0.95 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL16956482 0.87 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL23344676 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1EPHX2
SCHEMBL22571302 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1EPHX2
SCHEMBL20091088 0.83 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1EPHX2
SCHEMBL26381712 0.81 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1EPHX2
SCHEMBL19523042 0.81 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1EPHX2
SCHEMBL18885428 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1EPHX2
SCHEMBL3086005 0.80 AOC3 (0.44) OPRM1OPRD1OPRK1OPRL1AOC3

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
CN-105358534-A Novel synthetic process to 8-chloro-1-methyl-benzo[d]azepine, novel intermediates and the production thereof LEK PHARMACEUTICALS 2016-02-24 CN disclosed