SCHEMBL7224129

SCHEMBL7224129

Cc1ncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CHRNA7 P36544 2/20 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
SCHEMBL7225130 0.88 F10 (0.35) SLC6A4SLC6A3CHRNA7
SCHEMBL7232991 0.87 SLC6A3 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL7231162 0.86 NPC1 (0.43) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7225000 0.85 NPC1 (0.34) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7224349 0.85 ALDH1A1 (0.35) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7232219 0.84 SLC6A3 (0.35) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7230402 0.84 SLC6A2 (0.34) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7122496 0.84 CHRNA7 (0.35) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7230672 0.83 NPC1 (0.31) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7230649 0.83 NPC1 (0.32) NPC1RAB9ASLC6A2SLC6A4SLC6A3

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