SCHEMBL4565016

SCHEMBL4565016

CN1Cc2ccccc2C(C(O)c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 9/20 0.49
▸ SLC6A2 P23975 8/20 0.47
▸ SLC6A4 P31645 8/20 0.47
▸ HSD17B2 P37059 1/20 0.44
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL4470164 0.83 SLC6A2 (0.53) SLC6A3SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL4467010 0.81 GRIN2D (0.46) SLC6A3SLC6A4DRD1
SCHEMBL4032877 0.72 SLC6A2 (0.78) SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL4321716 0.72 SLC6A2 (0.54) SLC6A3SLC6A2SLC6A4HSD17B2CYP2D6
SCHEMBL19010138 0.72 SLC6A2 (0.56) SLC6A3SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL19010135 0.72 SLC6A2 (0.56) SLC6A3SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL15131035 0.72 SLC6A2 (0.56) SLC6A3SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL4328470 0.72 SLC6A2 (0.49) SLC6A3SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL4319928 0.69 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL6998367 0.66 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4OPRM1CYP2D6

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
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO disclosed
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