SCHEMBL7680765

SCHEMBL7680765

Cc1cc(C)nc(N(C)c2ccc(Br)cc2Br)n1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.46
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL8033081 0.86 CRHR1 (0.46) CRHR1
SCHEMBL7680278 0.81 CRHR1 (0.48) CRHR1TSHRMAPK1L3MBTL1
SCHEMBL7680583 0.81 CRHR1 (0.56) CRHR1
SCHEMBL7687623 0.81 CRHR1 (0.45) CRHR1
SCHEMBL7687275 0.80 CRHR1 (0.43) CRHR1
SCHEMBL9047853 0.79 CRHR1 (0.46) CRHR1TSHRMAPK1L3MBTL1
SCHEMBL9566865 0.71 ALOX15 (0.42) TSHRMAPK1L3MBTL1
SCHEMBL7683371 0.68 CRHR1 (0.58) CRHR1TSHR
SCHEMBL7695614 0.67 CRHR1 (0.36) CRHR1
SCHEMBL7683193 0.67 C1R (0.42) CRHR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US claimed
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