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Sugi Predict / Compounds / SCHEMBL7223191

SCHEMBL7223191

SCHEMBL7223191

COc1coc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 7/20 0.31
▸ SLC6A4 P31645 5/20 0.31
▸ SLC6A2 P23975 4/20 0.31
▸ KDM1A O60341 1/20 0.30

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
SCHEMBL7232492 0.88 CHRNB2 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL7234365 0.86 — —
SCHEMBL7232193 0.84 KDM1A (0.34) SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL7227017 0.83 SLC6A3 (0.32) SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL7124189 0.83 SLC6A2 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL7226155 0.83 CHRNA7 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL7224231 0.82 KDM1A (0.32) SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL7233115 0.82 SLC6A3 (0.31) SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL7226119 0.81 — —
SCHEMBL7223423 0.81 SLC6A2 (0.35) SLC6A3SLC6A4SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 — — US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 — — US disclosed