SCHEMBL5043909

SCHEMBL5043909

CCCCCc1ccc(CNC(=O)c2cccc(-c3ccc([CH]Cc4ccc(Cl)cc4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CNR2 P34972 1/20 0.42
ERN1 O75460 2/20 0.42
CFD P00746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SENP1 Q9P0U3 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5047208 0.88 AKR1C3 (0.47) EPHX2NR1H4AKR1C3TRPV1ALDH1A1
SCHEMBL5047990 0.86 EPHX2 (0.51) EPHX2NR1H4AKR1C4AKR1C3AKR1C2
SCHEMBL6022309 0.83 EPHX2 (0.46) EPHX2NR1H4SCN2ASCN10ATRPV1
SCHEMBL1854934 0.82 EPHX2 (0.49) EPHX2NR1H4AKR1C4AKR1C3AKR1C2
SCHEMBL5046973 0.78 UTS2R (0.47) EPHX2NR1H4AKR1C4AKR1C3AKR1C2
SCHEMBL5045075 0.77 P2RX7 (0.46) EPHX2NR1H4SCN2ASCN10A
SCHEMBL5046329 0.76 ALDH1A1 (0.48) EPHX2AKR1C3ERN1ALDH1A1POLB
SCHEMBL5049330 0.76 ALDH1A1 (0.48) EPHX2AKR1C3ERN1ALDH1A1POLB
SCHEMBL1855976 0.75 EPHX2 (0.55) EPHX2NR1H4TRPV1ERN1CFD
SCHEMBL11743722 0.74 KCNH2 (0.56) TRPV1ALDH1A1SMN1; SMN2

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed