SCHEMBL6592207

SCHEMBL6592207

CN(C)c1cccc2c(OCc3ccccc3)cc(C(=O)O)nc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.44
PTGER1 P34995 3/20 0.43
ALOX15 P16050 1/20 0.43
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
MCL1 Q07820 1/20 0.42
PIK3CA P42336 1/20 0.42
SRD5A2 P31213 1/20 0.41
P4HTM Q9NXG6 1/20 0.40

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
SCHEMBL6599537 0.90 MRGPRX4 (0.42) MRGPRX4PTGER1ALOX15LTB4RLTB4R2
SCHEMBL6080646 0.90 NOTUM (0.42) MRGPRX4LTB4RLTB4R2
SCHEMBL6602356 0.90 MRGPRX4 (0.42) MRGPRX4PTGER1ALOX15LTB4RLTB4R2
SCHEMBL6672382 0.86 PTGER1 (0.43) MRGPRX4PTGER1MCL1
SCHEMBL6672379 0.84 ALOX15 (0.40) MRGPRX4PTGER1ALOX15
SCHEMBL6596767 0.82 MRGPRX4 (0.47) MRGPRX4PTGER1ALOX15MCL1SRD5A2
SCHEMBL6590520 0.82 MRGPRX4 (0.47) MRGPRX4PTGER1MCL1SRD5A2P4HTM
SCHEMBL6598155 0.81 PTGER1 (0.50) MRGPRX4PTGER1MCL1
SCHEMBL6080317 0.81 MEN1 (0.39) MRGPRX4PTGER1LTB4RLTB4R2
SCHEMBL6081085 0.81 NOTUM (0.41) MRGPRX4LTB4RLTB4R2

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed