SCHEMBL7232138

SCHEMBL7232138

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(-c2cccc(F)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 4/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PTPN11 Q06124 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KCNH2 Q12809 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
F10 P00742 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL7224766 0.86 ALDH1A1 (0.49) USP30ALDH1A1CHRNA7
SCHEMBL7223521 0.86 PIM1 (0.39) USP30CHRNB2CHRNA4SLC6A3CHRNA7
SCHEMBL7233042 0.85 USP30 (0.36) USP30CHRNB2CHRNA4SLC6A3CHRNA7
SCHEMBL7226932 0.85 SLC6A3 (0.37) USP30SLC6A3CHRNA7PTPN11
SCHEMBL7075331 0.84 USP30 (0.39) USP30CHRNB2CHRNA4ALDH1A1IRAK4
SCHEMBL7234885 0.83 GSK3B (0.35) USP30CHRNB2CHRNA4SLC6A3CHRNA7
SCHEMBL7223211 0.83 USP30 (0.41) USP30CHRNB2CHRNA4PTPN11
Hydrochloric Acid SCHEMBL7077995 0.83 USP30 (0.39) USP30CHRNB2CHRNA4ALDH1A1IRAK4
SCHEMBL7233938 0.83 USP30 (0.37) USP30CHRNB2CHRNA4IRAK4LIPG
SCHEMBL7226143 0.82 PTPN11 (0.49) USP30CHRNB2CHRNA4SLC6A3PTPN11

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