SCHEMBL7225628

SCHEMBL7225628

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(-c2ncccc2F)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
PIM1 P11309 6/20 0.34
HCRTR1 O43613 1/20 0.34
DHODH Q02127 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SLC6A3 Q01959 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL7075331 0.87 USP30 (0.39) USP30PIM1CHRNB2CHRNA4PIM3
SCHEMBL7223521 0.87 PIM1 (0.39) USP30PIM1HCRTR1DHODHCHRNB2
SCHEMBL7223374 0.86 CHRNB2 (0.36) USP30CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7077995 0.86 USP30 (0.39) USP30PIM1CHRNB2CHRNA4PIM3
SCHEMBL7233042 0.84 USP30 (0.36) USP30PIM1HCRTR1DHODHCHRNB2
SCHEMBL7223795 0.83 DGAT1 (0.36) USP30HCRTR1CHRNB2CHRNA4KDM1A
SCHEMBL7224766 0.83 ALDH1A1 (0.49) USP30CHRNA7
SCHEMBL7225191 0.82 ADORA2B (0.35) USP30PIM1CHRNB2CHRNA4PIM3
SCHEMBL7234785 0.82 PIM1 (0.34) USP30PIM1CHRNB2CHRNA4PIM3
SCHEMBL7233080 0.82 USP30 (0.43) USP30CHRNB2CHRNA4

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