SCHEMBL9632704

SCHEMBL9632704

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(OC[C@H]4CC[C@H](CC)CC4)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.34
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL9632711 1.00 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9631404 0.97 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9631408 0.97 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630995 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9631002 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630320 0.96 RIPK1 (0.33) RIPK1
SCHEMBL9630326 0.96 RIPK1 (0.33) RIPK1
SCHEMBL9632498 0.94 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630256 0.94 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9631558 0.94 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed