SCHEMBL7224358

SCHEMBL7224358

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cc(Cl)c(Cl)cc2Cl)s1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.36
SLC6A4 P31645 3/20 0.36
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
CHRNA7 P36544 2/20 0.32
HTR3A P46098 1/20 0.31

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
SCHEMBL7232598 0.87 SLC6A3 (0.39) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7223149 0.86 CHRNA7 (0.35) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7224323 0.85 MEN1 (0.38)
SCHEMBL7234021 0.83 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2CHRNA7HTR3A
Hydrochloric Acid SCHEMBL7231366 0.82 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2CHRNA7
SCHEMBL7223174 0.82 CHRNA7 (0.33) CHRNB4CHRNA3CHRNA7HTR3A
SCHEMBL7231950 0.82 TAS1R3 (0.36) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7226168 0.82 HSD17B1 (0.37) SLC6A3SLC6A4
SCHEMBL7225306 0.82 CHRNA7 (0.36) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7231186 0.82 CHRNA7 (0.33) SLC6A3SLC6A4CHRNA1CHRNGITGA5

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