SCHEMBL9630246

SCHEMBL9630246

CCCCCCCC1CCC(C2CCC(CCc3ccc(OCC4CCC(CCCCC)CC4)c(F)c3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
CNR2 P34972 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 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
SCHEMBL9630303 1.00 RIPK1 (0.35) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9630298 1.00 RIPK1 (0.35) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9630242 1.00 RIPK1 (0.35) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9631484 0.99 RIPK1 (0.34) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9631488 0.99 RIPK1 (0.34) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9631301 0.99 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9631308 0.99 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9630335 0.98 RIPK1 (0.34) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9630330 0.98 RIPK1 (0.34) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9631558 0.98 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