SCHEMBL7235102

SCHEMBL7235102

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
DGAT1 O75907 7/20 0.47
KDR P35968 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
CHRNA7 P36544 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
GSTO1 P78417 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
SCD O00767 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38

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
SCHEMBL7233293 0.91 USP30 (0.43) USP30DGAT1HDAC6HDAC1CHRNB2
SCHEMBL7225108 0.91 USP30 (0.43) USP30DGAT1HDAC6HDAC1CHRNB2
SCHEMBL7232442 0.90 USP30 (0.42) USP30DGAT1KDRHDAC6HDAC1
SCHEMBL7224545 0.90 USP30 (0.41) USP30DGAT1HDAC6HDAC1
SCHEMBL7231136 0.90 DGAT1 (0.41) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7225968 0.90 USP30 (0.43) USP30DGAT1CHRNB2CHRNA4
SCHEMBL7231008 0.90 USP30 (0.43) USP30DGAT1HDAC6HDAC1CHRNB2
SCHEMBL7224140 0.90 HDAC1 (0.47) USP30DGAT1HDAC6HDAC1CHRNB2
SCHEMBL7222621 0.90 HDAC1 (0.46) USP30DGAT1HDAC6HDAC1CHRNA7
SCHEMBL7232956 0.89 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