SCHEMBL8412352

SCHEMBL8412352

CCCN1C(N2CCC(C(=O)c3ccc(F)cc3)CC2)C(O)c2c(OC)cccc2S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 5/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.44
SLC18A3 Q16572 7/20 0.43
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL8411323 0.90 CYP2C19 (0.46) CYP2D6CYP2C19HSD11B1LMNAKMT2A
SCHEMBL8412311 0.85 HSD11B1 (0.47) CYP2D6CYP2C19HSD11B1LMNAKMT2A
SCHEMBL8413103 0.84 L3MBTL1 (0.41) CYP2D6CYP2C19LMNAKMT2AALDH1A1
SCHEMBL8410851 0.84 SLC18A3 (0.47) CYP2D6CYP2C19HSD11B1SLC18A3HTT
SCHEMBL8413904 0.82 CYP2C19 (0.46) CYP2D6CYP2C19HSD11B1LMNAKMT2A
SCHEMBL8409854 0.81 CYP2C19 (0.45) CYP2D6CYP2C19HSD11B1LMNAKMT2A
SCHEMBL8412314 0.80 CYP2D6 (0.44) CYP2D6CYP2C19HSD11B1LMNAKMT2A
SCHEMBL8413553 0.79 HSD11B1 (0.45) CYP2D6CYP2C19HSD11B1LMNAKMT2A
SCHEMBL8411656 0.79 L3MBTL1 (0.42) CYP2D6CYP2C19LMNAKMT2AALDH1A1
SCHEMBL8413640 0.79 MEN1 (0.43) CYP2C19KMT2AHSD17B10TDP1ALDH1A1

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-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed