SCHEMBL7223374

SCHEMBL7223374

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(-c2cccnc2F)s1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
USP30 Q70CQ3 1/20 0.36
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 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
SCHEMBL7075331 0.89 USP30 (0.39) CHRNB2CHRNA4USP30MAPK11MAPK14
Hydrochloric Acid SCHEMBL7077995 0.88 USP30 (0.39) CHRNB2CHRNA4USP30MAPK11MAPK14
SCHEMBL7225628 0.86 USP30 (0.36) CHRNB2CHRNA4USP30
SCHEMBL7233042 0.86 USP30 (0.36) CHRNB2CHRNA4USP30MAPK11MAPK14
SCHEMBL7234311 0.85 USP30 (0.39) USP30MAPK11MAPK14
SCHEMBL7225191 0.84 ADORA2B (0.35) CHRNB2CHRNA4USP30
SCHEMBL7234785 0.84 PIM1 (0.34) CHRNB2CHRNA4USP30MAPK11MAPK14
SCHEMBL7225952 0.84 MAPK14 (0.45) USP30MAPK11MAPK14
SCHEMBL7233186 0.84 USP30 (0.39) USP30MAPK11MAPK14
SCHEMBL7230337 0.84 MAPK11 (0.49) USP30MAPK11MAPK14

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