SCHEMBL7224407

SCHEMBL7224407

N#Cc1cccc(-c2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.47
CHEK1 O14757 5/20 0.40
CTSC P53634 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
PAX8 Q06710 1/20 0.39
HPGDS O60760 1/20 0.39
GRM5 P41594 2/20 0.39
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
DGAT1 O75907 1/20 0.37
PDE10A Q9Y233 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL7232208 0.91 USP30 (0.46) USP30CHEK1CTSCPAX8CHRNB2
SCHEMBL7235102 0.87 USP30 (0.52) USP30CHRNB2CHRNA4DGAT1
SCHEMBL7225108 0.86 USP30 (0.43) USP30HPGDSCHRNB2CHRNA4DGAT1
SCHEMBL7233293 0.86 USP30 (0.43) USP30CHEK1HPGDSCHRNB2CHRNA4
SCHEMBL7224140 0.85 HDAC1 (0.47) USP30CHEK1GRM5CHRNB2CHRNA4
SCHEMBL7231008 0.85 USP30 (0.43) USP30SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL7225968 0.85 USP30 (0.43) USP30CHEK1GRM5CHRNB2CHRNA4
SCHEMBL7222621 0.85 HDAC1 (0.46) USP30GRM5CHRNB2CHRNA4DGAT1
SCHEMBL7224885 0.85 HPGDS (0.52) CHEK1CTSCSLC6A2SLC6A3PAX8
SCHEMBL7224838 0.84 USP30 (0.46) USP30CHEK1CTSCSLC6A2SLC6A3

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