Sugi Predict

Sugi Predict / Compounds / SCHEMBL9493953

SCHEMBL9493953

SCHEMBL9493953

NC1c2ccccc2CCCC1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.50
▸ IDO1 P14902 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.43
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 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
SCHEMBL9496731 0.93 CHRNA7 (0.50) CHRNA7IDO1SIGMAR1OPRM1OPRK1
SCHEMBL7620113 0.85 SLC18A3 (0.45) CHRNA7OPRM1OPRK1
SCHEMBL7620120 0.85 SLC18A3 (0.45) CHRNA7OPRM1OPRK1
SCHEMBL7623805 0.85 SLC18A3 (0.45) CHRNA7OPRM1OPRK1
SCHEMBL7620129 0.85 SLC18A3 (0.45) CHRNA7OPRM1OPRK1
SCHEMBL7623817 0.85 SLC18A3 (0.45) CHRNA7OPRM1OPRK1
SCHEMBL27203809 0.83 SLC9A3 (0.49) CHRNA7OPRM1OPRK1
SCHEMBL27014167 0.80 ACHE (0.41) CHRNA7IDO1
SCHEMBL9492994 0.79 CHRNA7 (0.49) CHRNA7IDO1SIGMAR1OPRM1OPRK1
SCHEMBL5899579 0.77 CHRNA7 (0.80) CHRNA7OPRM1OPRK1OPRL1

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
EP-0329563-B1 BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 — — EP disclosed
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