SCHEMBL7539896

SCHEMBL7539896

CCCC(CCC)n1nnc2c(Nc3ccc(Br)cc3C)nc(C)nc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.50
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL27500001 0.96 CRHR1 (0.48) CRHR1MEN1KMT2ARXFP1L3MBTL1
SCHEMBL8203092 0.86 CRHR1 (0.58) CRHR1MEN1KMT2A
SCHEMBL7539837 0.83 CRHR1 (0.55) CRHR1MEN1KMT2A
SCHEMBL7483647 0.79 CRHR1 (0.56) CRHR1
SCHEMBL7538831 0.79 CRHR1 (0.54) CRHR1
SCHEMBL7625566 0.79 CRHR1 (0.49) CRHR1MEN1KMT2A
SCHEMBL7619210 0.77 CRHR1 (0.58) CRHR1
SCHEMBL21886412 0.76 CRHR1 (0.60) CRHR1MEN1KMT2AKDM4E
SCHEMBL8194048 0.75 CRHR1 (0.52) CRHR1
SCHEMBL7619647 0.74 CRHR1 (0.56) CRHR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP claimed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP claimed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO claimed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed