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Sugi Predict / Compounds / SCHEMBL4461630

SCHEMBL4461630

SCHEMBL4461630

CN1Cc2ccccc2C(C2(O)CCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 18/20 0.49
▸ SLC6A4 P31645 18/20 0.49
▸ SLC6A3 Q01959 17/20 0.49
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 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
SCHEMBL4458919 0.98 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL4323108 0.98 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL4460770 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4456475 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL4457874 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4333706 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL4322615 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL4317478 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL4316503 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL4455894 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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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