Sugi Predict

Sugi Predict / Compounds / SCHEMBL7225018

SCHEMBL7225018

SCHEMBL7225018

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nnc(Cl)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ AKT1 P31749 2/20 0.33
▸ CHRNA7 P36544 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
SCHEMBL7224349 0.89 ALDH1A1 (0.35) SLC6A4SLC6A3
SCHEMBL7223163 0.85 SLC6A3 (0.32) SLC6A4SLC6A3
SCHEMBL7234464 0.85 F10 (0.34) CHRNA7
SCHEMBL7231438 0.85 CHRNB2 (0.31) SLC6A4SLC6A3CHRNA7
SCHEMBL7234021 0.85 SLC6A3 (0.39) SLC6A4SLC6A3AKT1CHRNA7
SCHEMBL7231720 0.84 F10 (0.30) SLC6A4SLC6A3AKT1
SCHEMBL7224323 0.84 MEN1 (0.38) —
SCHEMBL7233218 0.84 HPGD (0.34) —
SCHEMBL7225130 0.84 F10 (0.35) SLC6A4SLC6A3AKT1CHRNA7
Hydrochloric Acid SCHEMBL7231366 0.84 SLC6A3 (0.38) SLC6A4SLC6A3AKT1CHRNA7

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