SCHEMBL7223469

SCHEMBL7223469

Cc1ccc(Oc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
HTR4 Q13639 1/20 0.32
MMP13 P45452 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL7231932 0.92 HTR4 (0.38) SLC6A2SLC6A4SLC6A3HTR4
SCHEMBL7225338 0.91 SCN9A (0.33) SLC6A2SLC6A4SLC6A3POLBHTR4
SCHEMBL7223246 0.90 SLC6A3 (0.40) SLC6A3SCN9A
SCHEMBL7234386 0.90 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7225932 0.90 SCN9A (0.32) SCN9A
SCHEMBL7231524 0.90 HTR3E (0.36) MMP13
SCHEMBL7230910 0.88 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7231298 0.88 KMT2A (0.38) POLBL3MBTL1
SCHEMBL7116208 0.86 POLB (0.36) POLBMMP13SCN9A
SCHEMBL7120608 0.85 POLB (0.37) SLC6A2SLC6A4SLC6A3POLBMMP13

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