SCHEMBL6429243

SCHEMBL6429243

CCCCNc1nc(C)nc(N(CC)c2c(C)cc(C)cc2C)c1C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.50
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
FPR3 P25089 2/20 0.37
TSPO P30536 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37

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
SCHEMBL6428273 0.72 CRHR1 (0.41) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5843263 0.69 MAPT (0.43) CRHR1TLR8TDP1
SCHEMBL5845754 0.68 CRHR1 (0.49) CRHR1TLR8TLR7TDP1CYP3A4
SCHEMBL5843286 0.68 CRHR1 (0.57) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL2360359 0.64 CRHR1 (0.46) CRHR1
SCHEMBL23472140 0.64 TLR8 (0.44) CRHR1TLR8TLR7CYP3A4
SCHEMBL21015410 0.63 MAPT (0.56) CRHR1TLR8TDP1
SCHEMBL5843293 0.63 CRHR1 (0.56) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL13989410 0.62 TLR8 (0.61) CRHR1TLR8TLR7TDP1
SCHEMBL5843742 0.62 CRHR1 (0.57) CRHR1TDP1FPR3TSPOTMEM97

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-6387894-B1 MIXTURE OF CORTICOTROPIN RELEASING FACTOR ANTAGINIST AND RENIN-ANGIOTENSIN SYSTEM INHIBITOR; THERAPY FOR CONGESTIVE HEART FAILURE, HYPOTENSIVE AGENTS PFIZER INC. 2002-05-14 US claimed
US-6384039-B1 ADMINISTERING CORTICOTROPIN RELEASING FACTOR ANTAGONIST PFIZER INC. 2002-05-07 US claimed
EP-1059100-A2 Combinations of CRF antagonists and renin-angiotensin system inhibitors Pfizer Products Inc. (US) 2000-12-13 EP claimed
EP-1040831-A2 Use of corticotropin releasing factor (CRF) antagonists to prevent sudden death Pfizer Products Inc. (US) 2000-10-04 EP claimed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6387894-B1 MIXTURE OF CORTICOTROPIN RELEASING FACTOR ANTAGINIST AND RENIN-ANGIOTENSIN SYSTEM INHIBITOR; THERAPY FOR CONGESTIVE HEART FAILURE, HYPOTENSIVE AGENTS PFIZER INC. 2002-05-14 US disclosed
EP-1059100-A2 Combinations of CRF antagonists and renin-angiotensin system inhibitors Pfizer Products Inc. (US) 2000-12-13 EP disclosed