SCHEMBL5845669

SCHEMBL5845669

CCC(CO)Nc1nc(C)nc2c1CC(=O)N2c1c(C)cc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.53
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL6797092 0.93 CRHR1 (0.50) CRHR1
SCHEMBL5844274 0.80 CRHR1 (0.53) CRHR1TP53KDM4EMEN1ALDH1A1
SCHEMBL5844163 0.79 CRHR1 (0.52) CRHR1TP53KDM4EMEN1ALDH1A1
SCHEMBL8804003 0.74 CRHR1 (0.53) CRHR1TP53KDM4EMEN1ALDH1A1
SCHEMBL6798917 0.73 CRHR1 (0.50) CRHR1
SCHEMBL5845311 0.71 CRHR1 (0.50) CRHR1
SCHEMBL5599818 0.71 CRHR1 (0.50) CRHR1
SCHEMBL7437676 0.71 CRHR1 (0.45) CRHR1KDM4EALDH1A1
SCHEMBL6304617 0.70 CRHR1 (0.44) CRHR1KDM4EALDH1A1
SCHEMBL7360292 0.70 CRHR1 (0.70) CRHR1

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
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 WO disclosed