SCHEMBL4321716

SCHEMBL4321716

CN1Cc2ccccc2C(C(O)c2cccs2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 16/20 0.54
▸ SLC6A4 P31645 16/20 0.54
▸ SLC6A3 Q01959 15/20 0.54
▸ CYP2D6 P10635 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ HTR1A P08908 1/20 0.37

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
SCHEMBL4335624 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL4470164 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL4335621 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL15131035 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL19010135 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL19010138 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL4328470 0.73 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL12457690 0.73 ATM (0.49) SLC6A2SLC6A4SLC6A3HSD17B2TSHR
SCHEMBL4565016 0.72 SLC6A3 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HSD17B2
SCHEMBL4319928 0.70 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6TSHR

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 claimed
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