SCHEMBL8775102

SCHEMBL8775102

CCCC[C@H]1CC[C@H](CCc2ccc(-c3cnc(F)c(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.38
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN1 Q05586 1/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8775108 1.00 RARB (0.38) RARBRARARARGGPR84HRH3
SCHEMBL8774710 0.96 RARB (0.40) RARBRARARARGGPR84HRH3
SCHEMBL8774717 0.96 RARB (0.40) RARBRARARARGGPR84HRH3
SCHEMBL8774705 0.95 RARB (0.42) RARBRARARARGGPR84RAB9A
SCHEMBL8774659 0.95 RARB (0.42) RARBRARARARGGPR84RAB9A
SCHEMBL8774711 0.95 RARB (0.42) RARBRARARARGGPR84RAB9A
SCHEMBL8774668 0.95 RARB (0.42) RARBRARARARGGPR84RAB9A
SCHEMBL8774404 0.93 GPR84 (0.36) RARBRARARARGGPR84HRH3
SCHEMBL8774410 0.93 GPR84 (0.36) RARBRARARARGGPR84HRH3
SCHEMBL8774171 0.90 GRIN2B (0.37) RARBRARARARGGPR84MAOA

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