SCHEMBL7678150

SCHEMBL7678150

CCN(c1nc(C)nc(N2CCOCC2)n1)c1ccc(OC)nc1Br

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.61
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PIK3CA P42336 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7680488 0.77 CRHR1 (0.72) CRHR1
SCHEMBL7687384 0.76 CRHR1 (1.00) CRHR1PIK3CAMAPT
SCHEMBL7680790 0.74 CRHR1 (0.88) CRHR1PIK3CAMEN1KMT2ANPSR1
SCHEMBL7684608 0.74 CRHR1 (0.65) CRHR1
SCHEMBL7680397 0.73 CRHR1 (0.56) CRHR1
SCHEMBL9110881 0.70 CRHR1 (0.85) CRHR1PIK3CAMEN1KMT2AMAPT
SCHEMBL9619196 0.64 KDM4E (0.58) LMNASMN1; SMN2PIK3CAKMT2ANPSR1
SCHEMBL12110268 0.64 KMT2A (0.56) LMNASMN1; SMN2PIK3CAKMT2ANPSR1
SCHEMBL13029832 0.64 MAPK1 (0.65) CRHR1SMN1; SMN2PIK3CAMEN1KMT2A
SCHEMBL7680357 0.63 CRHR1 (0.72) CRHR1LMNAPIK3CAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP claimed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO claimed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
EP-0723544-A1 ALKOXY ALKYL CARBAMATES FROM IMIDAZO (1,2-a)PYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-07-31 EP disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed
WO-1995010518-A1 ALKOXY ALKYL CARBAMATES FROM IMIDAZO (1,2-a)PYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-04-20 WO disclosed