SCHEMBL5045075

SCHEMBL5045075

O=C(NCC(c1ccccc1)c1ccccc1)c1cccc(-c2ccc([CH]Cc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
SUCNR1 Q9BXA5 4/20 0.45
UTS2R Q9UKP6 4/20 0.45
KAT6A Q92794 1/20 0.44
ADRB3 P13945 1/20 0.43
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP24A1 Q07973 3/20 0.42
CYP27B1 O15528 2/20 0.42

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
SCHEMBL5039647 0.87 TACR1 (0.54) EPHX2NR1H4CYP24A1
SCHEMBL5044326 0.85 P2RX7 (0.49) P2RX7EPHX2NR1H4SUCNR1UTS2R
SCHEMBL5046285 0.82 GPR139 (0.46) EPHX2NR1H4KAT6A
SCHEMBL1854789 0.81 UTS2R (0.48) P2RX7EPHX2NR1H4SUCNR1UTS2R
SCHEMBL5045759 0.79 UTS2R (0.51) P2RX7EPHX2NR1H4SUCNR1UTS2R
SCHEMBL5047432 0.78 NR1H4 (0.53) EPHX2NR1H4
SCHEMBL4315436 0.78 EPHX2 (0.44) P2RX7EPHX2NR1H4SUCNR1UTS2R
SCHEMBL5043909 0.77 EPHX2 (0.47) EPHX2NR1H4SCN2ASCN10A
SCHEMBL1854412 0.74 NR1H4 (0.48) EPHX2NR1H4UTS2R
SCHEMBL5197801 0.69 MAPT (0.51) EPHX2NR1H4MEN1MAPTKMT2A

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 3 patents. 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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed