SCHEMBL7225141

SCHEMBL7225141

Cc1ccc(-c2ncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.37
CNR1 P21554 3/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL7224996 0.90 USP30 (0.42) USP30SLC6A3PTPN1PTPN11HDAC1
SCHEMBL7226045 0.90 USP30 (0.43) USP30SLC6A3PTPN1PTPN11HDAC1
SCHEMBL7231198 0.89 SMN1; SMN2 (0.47) USP30SLC6A3SLC6A4PTPN1PTPN11
SCHEMBL7234180 0.89 USP30 (0.42) USP30SLC6A3PTPN1PTPN11CNR1
SCHEMBL7226143 0.89 PTPN11 (0.49) USP30SLC6A3PTPN1PTPN11HDAC1
SCHEMBL7223371 0.89 USP30 (0.42) USP30SLC6A3PTPN1PTPN11HDAC1
SCHEMBL7071274 0.89 USP30 (0.53) USP30SLC6A3PTPN1HDAC1HDAC6
SCHEMBL7225875 0.89 HDAC1 (0.46) USP30PTPN1CNR1HDAC1HDAC3
SCHEMBL7223173 0.88 CDC7 (0.43) USP30SLC6A3PTPN1PTPN11CDC7
Hydrochloric Acid SCHEMBL7075524 0.88 USP30 (0.52) USP30SLC6A3PTPN1HDAC1HDAC6

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