SCHEMBL7683371

SCHEMBL7683371

Cc1ccc(N(C)c2nc(C)cc(N3CCOCC3)n2)c(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.58
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
MAPT P10636 2/20 0.45
PIK3CB P42338 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
GBA1 P04062 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
SCHEMBL8033081 0.79 CRHR1 (0.46) CRHR1LMNA
SCHEMBL9046910 0.73 CRHR1 (0.72) CRHR1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL7684973 0.73 CRHR1 (1.00) CRHR1
SCHEMBL7687174 0.73 CRHR1 (0.68) CRHR1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL7686582 0.71 CRHR1 (0.79) CRHR1
SCHEMBL19631356 0.70 KMT2A (0.58) CRHR1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL13326955 0.69 KMT2A (1.00) KMT2ASMN1; SMN2CRHBPCRHR2NPSR1
SCHEMBL18282242 0.68 KMT2A (0.63) KMT2ASMN1; SMN2CRHBPCRHR2NPSR1
SCHEMBL29381501 0.68 KMT2A (0.63) KMT2ASMN1; SMN2CRHBPCRHR2NPSR1
SCHEMBL7680765 0.68 CRHR1 (0.46) CRHR1TSHR

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 6 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-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