SCHEMBL7224688

SCHEMBL7224688

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2ccc(F)cn2)s1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.36
DGAT1 O75907 3/20 0.35
USP30 Q70CQ3 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CHRM1 P11229 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
SCHEMBL7225106 0.87 DGAT1 (0.44) SLC6A3DGAT1USP30
SCHEMBL7230609 0.86 DGAT1 (0.38) SLC6A3DGAT1USP30
SCHEMBL7233938 0.84 USP30 (0.37) DGAT1USP30LIPG
SCHEMBL7233669 0.84 CHRNA7 (0.44) DGAT1USP30
SCHEMBL7224924 0.84 DGAT1 (0.41) SLC6A3DGAT1
SCHEMBL7232544 0.83 DGAT1 (0.44) DGAT1USP30
SCHEMBL7233275 0.83 DGAT1 (0.40) DGAT1USP30LIPG
SCHEMBL7226932 0.82 SLC6A3 (0.37) SLC6A3USP30BACE1BACE2
SCHEMBL7225968 0.82 USP30 (0.43) DGAT1USP30
SCHEMBL7225526 0.81 DGAT1 (0.39) DGAT1USP30

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