SCHEMBL7224609

SCHEMBL7224609

CC(=O)Nc1ccc(Sc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.34
DDB1 Q16531 1/20 0.34
OGA O60502 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CHRNA7 P36544 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
DGAT1 O75907 1/20 0.32
FYN P06241 1/20 0.32
ITK Q08881 1/20 0.31

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
SCHEMBL7224375 0.88 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ITK
SCHEMBL7225406 0.87 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7232894 0.86 SLC6A4 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7226063 0.86 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL7232164 0.86 SLC6A2 (0.32) ALDH1A1SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7223713 0.86 CHRNA7 (0.34) ALDH1A1CHRNA7DGAT1ITK
SCHEMBL7226487 0.86 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL7120666 0.85 ITK (0.42) ITK
SCHEMBL7115100 0.85 CHRNA7 (0.36) SLC6A2SLC6A4SLC6A3CHRNA7ITK
SCHEMBL7226922 0.85 CHRNA7 (0.36) CRBNDDB1ALDH1A1MAPTSLC6A2

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