SCHEMBL7233293

SCHEMBL7233293

Nc1cccc(-c2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
DGAT1 O75907 4/20 0.39
CHEK1 O14757 1/20 0.38
HPGDS O60760 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7232956 0.91 DGAT1 (0.41) USP30CHRNB2CHRNA4DGAT1
SCHEMBL7235102 0.91 USP30 (0.52) USP30CHRNB2CHRNA4DGAT1HDAC1
SCHEMBL7225108 0.90 USP30 (0.43) USP30CHRNB2CHRNA4DGAT1HPGDS
SCHEMBL7231008 0.89 USP30 (0.43) USP30CHRNB2CHRNA4DGAT1IRAK4
SCHEMBL7222621 0.89 HDAC1 (0.46) USP30CHRNB2CHRNA4DGAT1IRAK4
SCHEMBL7224140 0.89 HDAC1 (0.47) USP30CHRNB2CHRNA4DGAT1CHEK1
SCHEMBL7225968 0.89 USP30 (0.43) USP30CHRNB2CHRNA4DGAT1CHEK1
SCHEMBL7230675 0.86 HDAC1 (0.49) USP30DGAT1CHEK1HDAC1HDAC6
SCHEMBL7224407 0.86 USP30 (0.47) USP30CHRNB2CHRNA4DGAT1CHEK1
SCHEMBL7232330 0.85 CHRNB2 (0.49) USP30CHRNB2CHRNA4

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