SCHEMBL30242538

SCHEMBL30242538

NCCCOc1ccc2c(c1)c(-c1cncc(CO)c1)nn2C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.35
CYP4A11 Q02928 5/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
AVPR1B P47901 1/20 0.33
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 1/20 0.32
P2RX3 P56373 1/20 0.32
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
DNMT3A Q9Y6K1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CMKLR1 Q99788 1/20 0.31
ATR Q13535 1/20 0.31
HSP90AA1 P07900 1/20 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
SCHEMBL24012616 1.00 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24012720 0.89 DNMT3A (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30242664 0.89 DNMT3A (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30242637 0.88 CMKLR1 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24012969 0.88 CMKLR1 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24013059 0.86 KCNA5 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30242688 0.86 KCNA5 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29925929 0.82 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL27032089 0.82 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL28989707 0.80 DNMT3A (0.35) CYP4F2CYP4A11RXRARXRBRXRG

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-4146658-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2023-03-15 EP disclosed