SCHEMBL7232113

SCHEMBL7232113

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSC P53634 1/20 0.38
EGLN1 Q9GZT9 5/20 0.37
PTPN1 P18031 1/20 0.37
PAX8 Q06710 1/20 0.37
KDM1A O60341 1/20 0.36
PTPN11 Q06124 1/20 0.36
NAAA Q02083 1/20 0.36
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 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
SCHEMBL7224838 0.89 USP30 (0.46) USP30CHRNB2CHRNA4CYP3A4CYP2D6
SCHEMBL7224996 0.89 USP30 (0.42) USP30CHRNB2CHRNA4PTPN1PTPN11
SCHEMBL7226143 0.88 PTPN11 (0.49) USP30CHRNB2CHRNA4PTPN1PTPN11
SCHEMBL7225141 0.88 USP30 (0.44) USP30PTPN1PTPN11CNR1SLC6A3
SCHEMBL7234180 0.88 USP30 (0.42) USP30PTPN1PTPN11CNR1SLC6A3
SCHEMBL7223371 0.88 USP30 (0.42) USP30CHRNB2CHRNA4PTPN1PTPN11
SCHEMBL7231198 0.88 SMN1; SMN2 (0.47) USP30CYP2D6CYP2C19PTPN1PTPN11
SCHEMBL7071274 0.87 USP30 (0.53) USP30CHRNB2CHRNA4CYP3A4CYP2D6
SCHEMBL7223173 0.86 CDC7 (0.43) USP30CYP3A4PTPN1PAX8PTPN11
Hydrochloric Acid SCHEMBL7075524 0.86 USP30 (0.52) USP30CHRNB2CHRNA4CYP3A4CYP2D6

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