SCHEMBL8774717

SCHEMBL8774717

CCCCCC1CCC(CCc2ccc(-c3cnc(F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 2/20 0.33
GRIN2B Q13224 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 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
SCHEMBL8774710 1.00 RARB (0.40) RARBRARARARGRAB9AGAA
SCHEMBL8774705 0.99 RARB (0.42) RARBRARARARGRAB9AGAA
SCHEMBL8774711 0.99 RARB (0.42) RARBRARARARGRAB9AGAA
SCHEMBL8774659 0.99 RARB (0.42) RARBRARARARGRAB9AGAA
SCHEMBL8774668 0.99 RARB (0.42) RARBRARARARGRAB9AGAA
SCHEMBL8775102 0.96 RARB (0.38) RARBRARARARGRAB9AGAA
SCHEMBL8775108 0.96 RARB (0.38) RARBRARARARGRAB9AGAA
SCHEMBL8774410 0.91 GPR84 (0.36) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774404 0.91 GPR84 (0.36) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8774171 0.89 GRIN2B (0.37) RARBRARARARGRAB9ASMN1; SMN2

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