SCHEMBL7233453

SCHEMBL7233453

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nnc(Cl)o2)s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
F10 P00742 2/20 0.30
AKT1 P31749 1/20 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
SCHEMBL7229548 0.89 SLC6A3 (0.32) SLC6A3SLC6A4
SCHEMBL7233245 0.89 SLC6A3 (0.32) SLC6A3SLC6A4
SCHEMBL7234209 0.86 SLC6A3 (0.31) SLC6A3SLC6A4F10
SCHEMBL7234082 0.85 CHRNB2 (0.32) SLC6A3SLC6A4AKT1
SCHEMBL7223915 0.84
SCHEMBL7232888 0.84 SLC6A3 (0.35) SLC6A3SLC6A4AKT1
SCHEMBL7224513 0.84 SLC6A3 (0.31) SLC6A3SLC6A4F10
SCHEMBL7234416 0.83 F10 (0.37) SLC6A3SLC6A4F10
SCHEMBL7226274 0.82 SLC6A3 (0.33) SLC6A3SLC6A4
SCHEMBL7224471 0.82 F10 (0.35) SLC6A3SLC6A4F10

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