SCHEMBL7230609

SCHEMBL7230609

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2cc(F)ccn2)s1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.38
USP30 Q70CQ3 1/20 0.35
ULK1 O75385 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL7225214 0.87 USP30 (0.39) DGAT1USP30ULK1CHRNB2CHRNA4
SCHEMBL7225968 0.86 USP30 (0.43) DGAT1USP30ULK1CHRNB2CHRNA4
SCHEMBL7224688 0.86 SLC6A3 (0.36) DGAT1USP30SLC6A3
SCHEMBL7225106 0.85 DGAT1 (0.44) DGAT1USP30ULK1CHRNB2CHRNA4
SCHEMBL7233275 0.85 DGAT1 (0.40) DGAT1USP30ULK1CHRNB2CHRNA4
SCHEMBL7232544 0.85 DGAT1 (0.44) DGAT1USP30ULK1CHRNB2CHRNA4
SCHEMBL7233669 0.85 CHRNA7 (0.44) DGAT1USP30CHRNB2CHRNA4
SCHEMBL7224924 0.84 DGAT1 (0.41) DGAT1SLC6A3
SCHEMBL7234885 0.83 GSK3B (0.35) USP30ULK1CHRNB2CHRNA4TAS1R3
SCHEMBL7233679 0.83 CTSS (0.42) DGAT1USP30ULK1

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