SCHEMBL7224231

SCHEMBL7224231

COc1cnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
SLC6A3 Q01959 6/20 0.31
SLC6A4 P31645 5/20 0.31
SLC6A2 P23975 4/20 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
SCHEMBL7230649 0.88 NPC1 (0.32) SLC6A3SLC6A4SLC6A2
SCHEMBL7225431 0.86 CHRNB2 (0.31)
SCHEMBL7227017 0.85 SLC6A3 (0.32) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7223196 0.84 KDM1A (0.33) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7225334 0.84 SLC6A3 (0.32) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7232991 0.83 SLC6A3 (0.32) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7232339 0.83 CHRNA7 (0.36) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7121307 0.83 SLC6A2 (0.36) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7223191 0.82 SLC6A3 (0.31) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL7234233 0.82 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