SCHEMBL4010364

SCHEMBL4010364

O=C(COc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(OCCN2CCC(OC(=O)O)CC2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDR P35968 2/20 0.42
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 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
SCHEMBL4008233 0.91 MRGPRX4 (0.51) EPHX2MEN1LMNAPOLBKMT2A
SCHEMBL4010360 0.90 SMN1; SMN2 (0.46) EPHX2MEN1LMNAPOLBKMT2A
SCHEMBL4006855 0.90 HTR2A (0.47) EPHX2MEN1LMNAPOLBKMT2A
SCHEMBL4011312 0.90 LMNA (0.45) EPHX2MEN1LMNAPOLBKMT2A
SCHEMBL4006678 0.88 ACHE (0.55) LMNAPOLBKMT2ASMN1; SMN2ACHE
SCHEMBL4008085 0.87 ACHE (0.56) POLBACHEMAPTTSHRHSD17B10
SCHEMBL4008026 0.86 MEN1 (0.44) EPHX2MEN1LMNAPOLBKMT2A
SCHEMBL4004890 0.85 MCHR1 (0.51) EPHX2ACHEMAPTTSHRHSD17B10
SCHEMBL5109029 0.85 MCHR1 (0.43) EPHX2MEN1LMNAPOLBKMT2A
SCHEMBL4006675 0.85 LMNA (0.42) MEN1LMNAPOLBKMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed