SCHEMBL9631308

SCHEMBL9631308

CCCCCC1CCC(COc2ccc(CCC3CCC(C4CCC(CCCCC)CC4)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
GRM2 Q14416 1/20 0.30
CNR2 P34972 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
SCHEMBL9631301 1.00 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BGRM2
SCHEMBL9630303 0.99 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BCNR2
SCHEMBL9630298 0.99 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BCNR2
SCHEMBL9630246 0.99 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BCNR2
SCHEMBL9631558 0.99 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9631563 0.99 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630242 0.99 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BCNR2
SCHEMBL9631484 0.98 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2BCNR2
SCHEMBL9630251 0.98 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2B
SCHEMBL9630255 0.98 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