SCHEMBL7233121

SCHEMBL7233121

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2cc(Cl)cc(Cl)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
DGAT1 O75907 4/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
F10 P00742 2/20 0.33

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
SCHEMBL7224140 0.90 HDAC1 (0.47) USP30DGAT1HDAC1HDAC6CHRNB2
SCHEMBL7234821 0.89 HDAC1 (0.43) USP30DGAT1HDAC1HDAC6CHRNB2
SCHEMBL7232544 0.87 DGAT1 (0.44) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7235102 0.84 USP30 (0.52) USP30DGAT1HDAC1HDAC6CHRNB2
SCHEMBL7224545 0.83 USP30 (0.41) USP30DGAT1HDAC1HDAC6
SCHEMBL7231136 0.83 DGAT1 (0.41) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7226214 0.83 NPC1 (0.38)
SCHEMBL7225353 0.83 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL7233275 0.83 DGAT1 (0.40) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7232956 0.83 DGAT1 (0.41) USP30DGAT1CHRNB2CHRNA4

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