SCHEMBL7232579

SCHEMBL7232579

CC(=O)Nc1ccc(-c2ncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
PTPN1 P18031 1/20 0.43
USP30 Q70CQ3 1/20 0.41
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CHRNA7 P36544 1/20 0.38
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL7226045 0.90 USP30 (0.43) PTPN11PTPN1USP30SLC6A3KCNH2
SCHEMBL7225370 0.90 USP30 (0.42) PTPN1USP30SMN1; SMN2FYNALDH1A1
SCHEMBL7225141 0.88 USP30 (0.44) PTPN11PTPN1USP30SLC6A3KCNH2
SCHEMBL7223409 0.88 PTPN11 (0.44) PTPN11PTPN1USP30SLC6A3KCNH2
SCHEMBL7224996 0.87 USP30 (0.42) PTPN11PTPN1USP30SLC6A3KCNH2
SCHEMBL7226373 0.87 P2RX7 (0.44) PTPN11PTPN1USP30SLC6A3KCNH2
SCHEMBL7226143 0.86 PTPN11 (0.49) PTPN11PTPN1USP30SLC6A3HDAC3
SCHEMBL7234180 0.86 USP30 (0.42) PTPN11PTPN1USP30SLC6A3KCNH2
SCHEMBL7223371 0.86 USP30 (0.42) PTPN11PTPN1USP30SLC6A3KCNH2
SCHEMBL7231198 0.86 SMN1; SMN2 (0.47) PTPN11PTPN1USP30SLC6A3HDAC3

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