SCHEMBL4006675

SCHEMBL4006675

O=C(COc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(OCCN2CCC[C@@H]2OC(=O)O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 3/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
HTR2C P28335 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL4004896 0.90 LMNA (0.40) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL4006673 0.89 SLC6A9 (0.47) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL5104110 0.89 SLC6A9 (0.47) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL4010457 0.86 KMT2A (0.42) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL4008804 0.85 APOBEC3A (0.44) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL5115605 0.85 MCHR1 (0.41) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL4010364 0.85 EPHX2 (0.43) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL14209869 0.84 ALDH1A1 (0.49) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL4006678 0.82 ACHE (0.55) LMNAKMT2ASMN1; SMN2POLBACHE
SCHEMBL4008085 0.82 ACHE (0.56) POLBACHEMAPTTSHRHSD17B10

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