SCHEMBL6525743

SCHEMBL6525743

CCCc1cc(-c2c(CC)cccc2CC)nc(C)c1CCCCOCC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
C5AR1 P21730 13/20 0.32
ELANE P08246 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MYC P01106 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
DHFR P00374 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
SCHEMBL6522128 0.87 C5AR1 (0.31) C5AR1
SCHEMBL6523381 0.77 C5AR1 (0.41) C5AR1
SCHEMBL3816531 0.74 GAA (0.40) MEN1KMT2AKDM4EPOLB
SCHEMBL1327940 0.73 SMN1; SMN2 (0.48) MEN1KMT2AKDM4EPOLB
SCHEMBL1327060 0.71 C5AR1 (0.31) C5AR1ELANE
SCHEMBL6523352 0.69 C5AR1 (0.38) C5AR1
SCHEMBL1327995 0.68 C5AR1 (0.40) C5AR1
SCHEMBL1327363 0.68 C5AR1 (0.40) C5AR1
SCHEMBL1327189 0.68 FFAR1 (0.39) C5AR1
SCHEMBL1328263 0.67 C5AR1 (0.41) C5AR1MEN1KMT2A

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-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed