SCHEMBL5844680

SCHEMBL5844680

CCC(CC)N(c1nc(C)nc(N)c1[N+](=O)[O-])c1c(C)cc(C)nc1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CRHR1 P34998 1/20 0.30

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
SCHEMBL31056280 0.67 MAPT (0.48) LMNAMAPTHTTL3MBTL1
SCHEMBL7385881 0.67 MAPT (0.48) LMNAMAPTHTTL3MBTL1
SCHEMBL6444145 0.66 CRHR1 (0.33) HTTCRHR1
SCHEMBL27930543 0.65 PKM (0.44) LMNAMAPTHTT
SCHEMBL8033158 0.64 ALDH1A1 (0.43) LMNAMAPTHTTL3MBTL1
SCHEMBL10684497 0.61 HTT (0.44) LMNAMAPTHTTL3MBTL1
Fluoride SCHEMBL27393254 0.61 ALDH1A1 (0.41) LMNAMAPTHTTL3MBTL1
SCHEMBL8345248 0.61 CRHR1 (0.34) CRHR1
SCHEMBL5843954 0.61 CRHR1 (0.41) LMNAMAPTL3MBTL1CRHR1
SCHEMBL9721947 0.60 NOS3 (0.55) LMNAMAPTHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US claimed
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-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
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed