SCHEMBL29926005

SCHEMBL29926005

C[C@@H](COCCCOc1ccc2c(cnn2C2CCCCO2)c1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
ATR Q13535 1/20 0.36
MAOA P21397 1/20 0.35
MCHR1 Q99705 7/20 0.35
KCNH2 Q12809 6/20 0.35
F10 P00742 1/20 0.34
CYP3A4 P08684 2/20 0.34
HTR3A P46098 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL27032545 1.00 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27131515 1.00 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29926019 0.84 RXRA (0.52) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27130754 0.84 RXRA (0.52) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27032492 0.84 RXRA (0.52) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27128981 0.83 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27032437 0.83 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24012606 0.79 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24638314 0.77 RXRA (0.53) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20398080 0.74 RXRA (0.59) RXRARXRBRXRGCYP4F2CYP4A11

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-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed