SCHEMBL10429736

SCHEMBL10429736

CCCCC[C@H]1CC[C@H](C2CCC(COc3ccc(CCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
CNR2 P34972 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CNR1 P21554 2/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
GRM2 Q14416 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL10429738 1.00 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL10429849 0.98 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL10429847 0.98 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9405669 0.96 RIPK1 (0.38) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9405667 0.96 RIPK1 (0.38) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL10429687 0.95 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL10429689 0.95 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9631301 0.95 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9631308 0.95 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9630242 0.94 RIPK1 (0.35) RIPK1CNR2HTR2AHTR2CHTR2B

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-0400068-A1 DERIVATIVES OF 2,3-DIFLUOROPHENOL MERCK PATENT GmbH (DE) 1990-12-05 EP disclosed
WO-1989008632-A1 DERIVATIVES OF 2,3-DIFLUOROPHENOL MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed