SCHEMBL9998804

SCHEMBL9998804

CCOC(=O)C1CCCN(C(=O)c2ccccc2C)C1c1ccc(NC2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43
CCR6 P51684 1/20 0.42
CHRM1 P11229 4/20 0.42
KMT2A Q03164 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM5 P08912 2/20 0.41
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.39
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL18609854 1.00 CNR2 (0.43) CNR2TP53CCR6CHRM1KMT2A
SCHEMBL16727612 1.00 CNR2 (0.43) CNR2TP53CCR6CHRM1KMT2A
SCHEMBL2586547 1.00 CNR2 (0.43) CNR2TP53CCR6CHRM1KMT2A
SCHEMBL3342354 0.87 KMT2A (0.44) TP53KMT2ANPC1RAB9AALDH1A1
SCHEMBL29766207 0.87 CNR2 (0.41) CNR2KMT2ATSHRMEN1KDM4E
SCHEMBL18532604 0.87 CNR2 (0.41) CNR2KMT2ATSHRMEN1KDM4E
SCHEMBL2583006 0.87 CNR2 (0.41) CNR2KMT2ATSHRMEN1KDM4E
SCHEMBL17997997 0.87 CNR2 (0.41) CNR2KMT2ATSHRMEN1KDM4E
SCHEMBL18532542 0.87 CNR2 (0.41) CNR2KMT2ATSHRMEN1KDM4E
SCHEMBL2583648 0.85 CNR2 (0.46) CNR2TP53CCR6CHRM1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
EP-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 EP disclosed
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 EP disclosed
EP-2585064-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2013-05-01 EP disclosed
WO-2011163640-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-12-29 WO disclosed