SCHEMBL7223371

SCHEMBL7223371

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
GSK3B P49841 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHRNA7 P36544 1/20 0.34

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) USP30PTPN1PTPN11CHRNB2CHRNA4
SCHEMBL7225141 0.89 USP30 (0.44) USP30PTPN1PTPN11MAPTSMN1; SMN2
SCHEMBL7234180 0.89 USP30 (0.42) USP30PTPN1PTPN11MAPTSMN1; SMN2
SCHEMBL7231198 0.89 SMN1; SMN2 (0.47) USP30PTPN1PTPN11MAPTSMN1; SMN2
SCHEMBL7226143 0.89 PTPN11 (0.49) USP30PTPN1PTPN11CHRNB2CHRNA4
SCHEMBL7071274 0.89 USP30 (0.53) USP30PTPN1CHRNB2CHRNA4MAPT
SCHEMBL7223173 0.88 CDC7 (0.43) USP30PTPN1PTPN11GSK3BMAPT
Hydrochloric Acid SCHEMBL7075524 0.88 USP30 (0.52) USP30PTPN1CHRNB2CHRNA4MAPT
SCHEMBL7225292 0.88 P2RX7 (0.43) USP30CHRNB2CHRNA4GSK3BMAPT
SCHEMBL7226045 0.88 USP30 (0.43) USP30PTPN1PTPN11MAPTSMN1; SMN2

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