SCHEMBL7224100

SCHEMBL7224100

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cncc(Cl)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 4/20 0.33
USP47 Q96K76 4/20 0.33
F10 P00742 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
AKT1 P31749 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 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
SCHEMBL7226168 0.87 HSD17B1 (0.37) USP7F10SLC6A3SLC6A4
SCHEMBL7234021 0.87 SLC6A3 (0.39) USP7SLC6A3SLC6A4AKT1
Hydrochloric Acid SCHEMBL7231366 0.86 SLC6A3 (0.38) USP7SLC6A3SLC6A4AKT1
SCHEMBL7233118 0.85 CHRNB2 (0.39) SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL7232268 0.85 HDAC3 (0.34) F10
SCHEMBL7231859 0.85 HDAC3 (0.34) F10SLC6A3SLC6A4AKT1
SCHEMBL7232598 0.84 SLC6A3 (0.39) SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL7231950 0.84 TAS1R3 (0.36) F10SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL7224957 0.84 TAS1R3 (0.36) F10SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL7233041 0.83 SLC6A4 (0.34) SLC6A3SLC6A4AKT1CHRNB4CHRNA3

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