SCHEMBL7225306

SCHEMBL7225306

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(F)cc2F)s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.36
USP10 Q14694 1/20 0.35
USP7 Q93009 1/20 0.35
USP47 Q96K76 1/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
ITGA5 P08648 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKT1 P31749 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
SCHEMBL7224358 0.82 SLC6A3 (0.36) CHRNA7SLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL7225927 0.81 CHRNA7 (0.35) CHRNA7HTR3A
SCHEMBL7223174 0.81 CHRNA7 (0.33) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL7231950 0.81 TAS1R3 (0.36) CHRNA7SLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL7231186 0.80 CHRNA7 (0.33) CHRNA7SLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL7223431 0.80 HTR3E (0.33) CHRNA7HTR3A
SCHEMBL7230577 0.80 SLC6A3 (0.33) CHRNA7SLC6A3SLC6A2SLC6A4HTR3A
SCHEMBL7232807 0.80 CHRNA7 (0.41) CHRNA7SLC6A3HTR3A
SCHEMBL7224323 0.79 MEN1 (0.38)
SCHEMBL7231162 0.79 NPC1 (0.43) SLC6A3SLC6A2SLC6A4

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