SCHEMBL7225968

SCHEMBL7225968

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2cccc(F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
DGAT1 O75907 6/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ULK1 O75385 1/20 0.38
GRM5 P41594 1/20 0.38
CDK2AP1 O14519 1/20 0.37
CHEK1 O14757 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL7225106 0.90 DGAT1 (0.44) USP30DGAT1CHRNB2CHRNA4ULK1
SCHEMBL7232544 0.90 DGAT1 (0.44) USP30DGAT1CHRNB2CHRNA4ULK1
SCHEMBL7235102 0.90 USP30 (0.52) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7225108 0.89 USP30 (0.43) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7233293 0.89 USP30 (0.43) USP30DGAT1CHRNB2CHRNA4CHEK1
SCHEMBL7231008 0.88 USP30 (0.43) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7222621 0.88 HDAC1 (0.46) USP30DGAT1CHRNB2CHRNA4GRM5
SCHEMBL7224140 0.88 HDAC1 (0.47) USP30DGAT1CHRNB2CHRNA4GRM5
SCHEMBL7233275 0.88 DGAT1 (0.40) USP30DGAT1CHRNB2CHRNA4ULK1
SCHEMBL7233679 0.87 CTSS (0.42) USP30DGAT1ULK1

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