SCHEMBL6228504

SCHEMBL6228504

O=C(NCCc1ccc(CN2CCC(c3ccccc3)CC2)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM4 P08173 3/20 0.44
CCR5 P51681 3/20 0.44
MCHR1 Q99705 5/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6221960 0.87 MCHR1 (0.57) FAAHBCHEACHEMCHR1CYP2D6
SCHEMBL6225433 0.87 FAAH (0.50) FAAHBCHEACHEMCHR1CYP2D6
SCHEMBL6226147 0.87 MEN1 (0.51) MEN1KMT2ACHRM4CCR5MCHR1
SCHEMBL6224697 0.87 MCHR1 (0.57) FAAHBCHEACHEMEN1KMT2A
SCHEMBL6708083 0.86 NPC1 (0.59) FAAHBCHEACHEMEN1KMT2A
SCHEMBL6224439 0.86 FAAH (0.47) FAAHBCHEACHECHRM4MCHR1
SCHEMBL6225469 0.85 ACHE (0.46) FAAHBCHEACHEMCHR1CYP2D6
SCHEMBL6224533 0.84 FAAH (0.45) FAAHBCHEACHEMEN1KMT2A
SCHEMBL6224507 0.83 MCHR1 (0.48) FAAHBCHEACHEMCHR1CYP2D6
SCHEMBL6227023 0.80 MCHR1 (0.46) FAAHBCHEACHEMCHR1CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 EP disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 WO disclosed