SCHEMBL9630261

SCHEMBL9630261

CCCCC1CCC(COc2ccc(CCC3CCC(C4CCC(CCC)CC4)CC3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL9632498 1.00 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BHRH3
SCHEMBL9630256 1.00 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BHRH3
SCHEMBL9632493 1.00 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BHRH3
SCHEMBL9631002 0.98 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BHRH3
SCHEMBL9630995 0.98 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BHRH3
SCHEMBL9631916 0.97 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630255 0.97 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9631921 0.97 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630251 0.97 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630335 0.95 RIPK1 (0.34) 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