SCHEMBL8774142

SCHEMBL8774142

CCC1CCC(C2CCC(CCc3cc(F)c(F)nc3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
HTR2A P28223 7/20 0.33
HTR2C P28335 7/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL8774146 1.00 MAOB (0.35) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774138 1.00 MAOB (0.35) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774130 1.00 MAOB (0.35) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774085 0.95 MAOB (0.38) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774091 0.95 MAOB (0.38) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774539 0.91 TLR4 (0.36) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774536 0.91 TLR4 (0.36) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774546 0.91 TLR4 (0.36) MAOBHTR2AHTR2CHCAR2
SCHEMBL8774530 0.91 TLR4 (0.36) MAOBHTR2AHTR2CHCAR2
SCHEMBL8775114 0.89 CYP1A2 (0.35) MAOBHTR2AHTR2C

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