SCHEMBL5780925

SCHEMBL5780925

O=[N+]([O-])c1cccc2ccc(C3CCCCN3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
CYP2C19 P33261 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36

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
SCHEMBL5202115 0.73 KMT2A (0.44) MEN1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL3856968 0.72 ALDH1A1 (0.48) ALDH1A1LMNANPSR1RAB9ACYP2C19
SCHEMBL8810623 0.71 CYP2C19 (0.46) PDE10AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28867388 0.71 HPGD (0.37) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL8918069 0.71 CYP2D6 (0.52) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3386586 0.67 PDE10A (0.43) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL16429508 0.66 TAAR1 (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2557483 0.66 MEN1 (0.42) MEN1KMT2ASMN1; SMN2PARP1CYP2C19
SCHEMBL2560655 0.66 MEN1 (0.42) MEN1KMT2ASMN1; SMN2PARP1CYP2C19
SCHEMBL1031078 0.66 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD

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-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO disclosed