SCHEMBL7586013

SCHEMBL7586013

CN1CCN(c2ccccc2-c2ccc(OC(=O)NCc3ccc(Cl)cc3)[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
KDR P35968 4/20 0.44
FLT3 P36888 4/20 0.44
FLT1 P17948 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
AURKA O14965 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPY1R P25929 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
SCHEMBL7157877 0.83 NPBWR1 (0.49) NPC1NPBWR1MCHR1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL7159814 0.83 NPBWR1 (0.48) NPC1NPBWR1MCHR1L3MBTL1KMT2A
SCHEMBL7587711 0.81 MAPT (0.49) NPC1NPBWR1MCHR1L3MBTL1KMT2A
SCHEMBL7591765 0.80 NPC1 (0.48) NPC1NPBWR1MCHR1KDRFLT3
SCHEMBL7586158 0.80 NPC1 (0.46) NPC1NPBWR1MCHR1KDRFLT3
SCHEMBL7582824 0.77 NPC1 (0.45) NPC1NPBWR1MCHR1KDRFLT3
SCHEMBL7159289 0.73 HPGD (0.60) NPC1NPBWR1MCHR1MAPTPOLB
SCHEMBL7838686 0.72 HTR1A (0.55) NPC1NPBWR1MCHR1MAPTMAPK1
SCHEMBL7591805 0.72 ALDH1A1 (0.47) NPC1NPBWR1MCHR1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL7158449 0.72 HPGD (0.58) NPC1NPBWR1MCHR1MAPTPOLB

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-0957099-B1 Heterocyclic carboxamides PFIZER PROD INC (US) 2002-11-20 EP claimed