SCHEMBL7654015

SCHEMBL7654015

C[C@H]1[C@H](NC(=O)c2sccc2-c2ccccc2NS(C)(=O)=O)C2CCN1CC2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 18/20 0.38
FPR1 P21462 11/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCL1 Q07820 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
SCHEMBL7061790 0.83 CHRNA7 (0.45) FPR2FPR1
SCHEMBL7565280 0.82 CHRNA7 (0.48)
SCHEMBL7062857 0.81 CHRNB2 (0.45) FPR2FPR1MCL1
SCHEMBL7059277 0.79 CHRNB2 (0.43) FPR2FPR1KDM4EALDH1A1HPGD
SCHEMBL7118756 0.79 MAPK11 (0.42) FPR2FPR1
SCHEMBL7589962 0.75 HSD17B10 (0.39) ALDH1A1HSD17B10
SCHEMBL7063163 0.74 CHRNA7 (0.38) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL6872639 0.73 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL6883061 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7064234 0.73 CHRNA7 (0.39) KDM4EALDH1A1HPGDTSHRHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US claimed