SCHEMBL7230910

SCHEMBL7230910

Cc1cccc(Oc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
EZH2 Q15910 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
LYN P07948 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GCK P35557 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
PIN1 Q13526 1/20 0.33

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
SCHEMBL7232332 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7234917 0.89 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7231491 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KMT2AGCK
SCHEMBL7223469 0.88 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7231524 0.88 HTR3E (0.36)
SCHEMBL7231868 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3EZH2MEN1
SCHEMBL7231932 0.84 HTR4 (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7225338 0.83 SCN9A (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7225883 0.83 EZH2 (0.34) SLC6A2SLC6A4SLC6A3EZH2JAK2
SCHEMBL7223246 0.82 SLC6A3 (0.40) SLC6A3

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