SCHEMBL8774430

SCHEMBL8774430

CCCCc1ccc(C2CCC(c3cc(F)c(F)nc3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 6/20 0.35
USP25 Q9UHP3 1/20 0.35
SPHK1 Q9NYA1 3/20 0.35
PCSK9 Q8NBP7 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
SKP2 Q13309 1/20 0.33
GRM2 Q14416 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL8774422 1.00 PANK3 (0.35) PANK3USP25SPHK1PCSK9KDM5A
SCHEMBL8774341 0.96 SPHK1 (0.39) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL8774331 0.96 SPHK1 (0.39) SPHK1DRD2SLC6A2HTR2AHTR2C
SCHEMBL8774794 0.92 PANK3 (0.36) PANK3USP25KDM5AKDM4CDRD2
SCHEMBL8774803 0.92 PANK3 (0.36) PANK3USP25KDM5AKDM4CDRD2
SCHEMBL8774873 0.87 SPHK1 (0.49) SPHK1
SCHEMBL8774869 0.87 SPHK1 (0.49) SPHK1
SCHEMBL9161057 0.87 SPHK1 (0.35) PANK3USP25SPHK1PCSK9SKP2
SCHEMBL9161069 0.87 SPHK1 (0.35) PANK3USP25SPHK1PCSK9SKP2
SCHEMBL8774094 0.87 PANK3 (0.38) PANK3USP25KDM5AKDM4C

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed