SCHEMBL8775154

SCHEMBL8775154

CCC[C@H]1CC[C@H](CCc2ccc(-c3cc(F)c(F)nc3Cl)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
FFAR4 Q5NUL3 7/20 0.33
HRH3 Q9Y5N1 1/20 0.31
RARB P10826 1/20 0.31
CNR1 P21554 1/20 0.31
BRS3 P32247 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8775158 1.00 GPR84 (0.34) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL8775089 0.93 GPR84 (0.36) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL8775095 0.93 GPR84 (0.36) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL8774629 0.93 GPR84 (0.34) GPR84MAOBMAOAFFAR4CNR1
SCHEMBL8774639 0.93 GPR84 (0.34) GPR84MAOBMAOAFFAR4CNR1
SCHEMBL8774407 0.92 RARB (0.36) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL8774400 0.92 RARB (0.36) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL8774424 0.89 MAOB (0.38) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL8774417 0.89 MAOB (0.38) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL8774814 0.86 CYP2C9 (0.42) RAB9A

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