SCHEMBL5046285

SCHEMBL5046285

N#Cc1cccc(C[CH]c2ccc(-c3cccc(C(=O)NCC(c4ccccc4)c4ccccc4)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.46
KAT6A Q92794 2/20 0.43
CHRM3 P20309 1/20 0.42
S1PR3 Q99500 2/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC2A1 P11166 1/20 0.40
CFD P00746 1/20 0.40
MCHR1 Q99705 1/20 0.40
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
PRMT5 O14744 1/20 0.39
HPGDS O60760 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PIN1 Q13526 1/20 0.39

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
SCHEMBL5044420 0.85 GPR139 (0.46) GPR139KAT6ACHRM3S1PR3EPHX2
SCHEMBL5045075 0.82 P2RX7 (0.46) KAT6AEPHX2NR1H4
SCHEMBL1855533 0.81 GPR139 (0.43) GPR139KAT6ACHRM3S1PR3EPHX2
SCHEMBL5045301 0.81 GAA (0.46) CHRM3ALDH1A1
SCHEMBL5047059 0.80 GPR139 (0.45) GPR139KAT6ACHRM3S1PR3EPHX2
SCHEMBL5039647 0.80 TACR1 (0.54) GPR139EPHX2NR1H4PRMT5
SCHEMBL5047432 0.75 NR1H4 (0.53) EPHX2NR1H4ERN1ALDH1A1CFD
SCHEMBL6022596 0.72 F10 (0.49) GPR139KAT6AALDH1A1CTSLCTSB
SCHEMBL1854412 0.71 NR1H4 (0.48) EPHX2NR1H4ERN1ALDH1A1CFD
SCHEMBL5044326 0.70 P2RX7 (0.49) KAT6AEPHX2NR1H4PRMT5

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