SCHEMBL5047432

SCHEMBL5047432

O=C(NCC(c1ccccc1)c1ccccc1)c1cccc(-c2ccc(C[N]Cc3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.53
EPHX2 P34913 1/20 0.53
CFD P00746 1/20 0.49
PRMT5 O14744 1/20 0.47
TACR1 P25103 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
SENP1 Q9P0U3 2/20 0.47
ERN1 O75460 1/20 0.46
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
MDM4 O15151 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43

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
SCHEMBL5044326 0.93 P2RX7 (0.49) NR1H4EPHX2PRMT5
SCHEMBL1854412 0.83 NR1H4 (0.48) NR1H4EPHX2CFDPRMT5TACR1
SCHEMBL5045075 0.78 P2RX7 (0.46) NR1H4EPHX2
SCHEMBL1854789 0.77 UTS2R (0.48) NR1H4EPHX2PRMT5
SCHEMBL5039647 0.76 TACR1 (0.54) NR1H4EPHX2PRMT5TACR1
SCHEMBL1855533 0.75 GPR139 (0.43) NR1H4EPHX2PRMT5ALDH1A1
SCHEMBL5046285 0.75 GPR139 (0.46) NR1H4EPHX2CFDPRMT5SENP1
SCHEMBL5044420 0.75 GPR139 (0.46) NR1H4EPHX2CFDALDH1A1
SCHEMBL1853555 0.75 TACR1 (0.53) NR1H4EPHX2PRMT5TACR1
SCHEMBL5045759 0.75 UTS2R (0.51) NR1H4EPHX2

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 4 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-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed