SCHEMBL8774794

SCHEMBL8774794

CCCc1ccc([C@H]2CC[C@H](c3cc(F)c(F)nc3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 6/20 0.36
USP25 Q9UHP3 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAOB P27338 1/20 0.32
OPRL1 P41146 3/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL8774803 1.00 PANK3 (0.36) PANK3USP25KDM5AKDM4CDRD2
SCHEMBL8774422 0.92 PANK3 (0.35) PANK3USP25KDM5AKDM4CDRD2
SCHEMBL8774430 0.92 PANK3 (0.35) PANK3USP25KDM5AKDM4CDRD2
SCHEMBL8774341 0.91 SPHK1 (0.39) DRD2
SCHEMBL8774331 0.91 SPHK1 (0.39) DRD2
SCHEMBL8774094 0.89 PANK3 (0.38) PANK3USP25KDM5AKDM4COPRL1
SCHEMBL8774102 0.89 PANK3 (0.38) PANK3USP25KDM5AKDM4COPRL1
SCHEMBL9156283 0.86 PANK3 (0.34) PANK3USP25KDM5AKDM4CDRD2
SCHEMBL9156280 0.86 PANK3 (0.34) PANK3USP25KDM5AKDM4CDRD2
SCHEMBL8775016 0.86 SPHK1 (0.42)

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