SCHEMBL7223196

SCHEMBL7223196

COc1ccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)o1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
SLC6A3 Q01959 7/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A2 P23975 5/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7233342 0.89 NPC1 (0.33) SLC6A3SLC6A4SLC6A2NPC1TP53
SCHEMBL7225069 0.85 SLC6A4 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL7225334 0.84 SLC6A3 (0.32) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7224231 0.84 KDM1A (0.32) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7233475 0.83 SLC6A3 (0.35) SLC6A3SLC6A4SLC6A2
SCHEMBL7231088 0.82 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2NPC1HPGD
SCHEMBL7232161 0.82 CHRNA7 (0.38) SLC6A3SLC6A4SLC6A2NPC1TP53
SCHEMBL7120646 0.82 SLC6A2 (0.38) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7225471 0.82 SLC6A3 (0.33) SLC6A3SLC6A4SLC6A2NPC1TP53
SCHEMBL7227017 0.81 SLC6A3 (0.32) KDM1ASLC6A3SLC6A4SLC6A2

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