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Sugi Predict / Compounds / SCHEMBL8963706

SCHEMBL8963706

SCHEMBL8963706

Cc1[nH]cnc1N1CCN(C(c2ccccc2)c2ccccc2)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIMK2 P53671 4/20 0.39
▸ OPRD1 P41143 2/20 0.38
▸ DGKA P23743 1/20 0.37
▸ DGKZ Q13574 1/20 0.37
▸ SLC9A1 P19634 5/20 0.36
▸ SLC6A9 P48067 2/20 0.36
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34

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
SCHEMBL21787342 0.66 OPRM1 (0.51) OPRD1SLC6A9OPRM1OPRK1OPRL1
SCHEMBL13163119 0.66 OPRM1 (0.51) OPRD1SLC6A9OPRM1OPRK1OPRL1
SCHEMBL9792723 0.66 OPRM1 (0.51) OPRD1SLC6A9OPRM1OPRK1OPRL1
SCHEMBL4153281 0.64 MEN1 (0.53) OPRD1OPRM1OPRK1OPRL1
SCHEMBL4153276 0.64 MEN1 (0.53) OPRD1OPRM1OPRK1OPRL1
SCHEMBL13291353 0.63 KDM4E (0.56) OPRD1SLC6A9OPRM1OPRK1OPRL1
SCHEMBL14257980 0.63 KDM4E (0.56) OPRD1SLC6A9OPRM1OPRK1OPRL1
SCHEMBL4143908 0.62 SLC6A9 (0.58) OPRD1SLC6A9
SCHEMBL4143907 0.62 SLC6A9 (0.58) OPRD1SLC6A9
SCHEMBL4144761 0.62 SLC6A9 (0.58) OPRD1SLC6A9

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-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 — — US disclosed