SCHEMBL7006813

SCHEMBL7006813

CCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)c3ccccn3c12

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.53

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
SCHEMBL7007275 0.88 CRHR1 (0.55) CRHR1
SCHEMBL7007793 0.83 CRHR1 (0.47) CRHR1
SCHEMBL7004385 0.79 MAPT (0.37) CRHR1
SCHEMBL7006275 0.79 LMNA (0.35) CRHR1
SCHEMBL7004989 0.72 GAA (0.33) CRHR1
SCHEMBL7008469 0.72 CRHR1 (0.46) CRHR1
SCHEMBL7007327 0.72 CRHR1 (0.49) CRHR1
SCHEMBL7005620 0.72 NCF1 (0.46)
SCHEMBL7009295 0.72 CRHR1 (0.44) CRHR1
SCHEMBL7010054 0.72 CDK5 (0.33) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086103-B1 PYRIDO 2,3-B]INDOLIZINE DERIVATIVES AND AZA ANALOGUES THEREOF; CRF 1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-05-02 EP claimed
US-6194574-B1 SELECTIVELY BIND TO CORTICOTROPIN-RELEASING FACTOR (CRF1) RECEPTORS; FOR TREATING STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-02-27 US claimed
EP-1086103-B1 PYRIDO 2,3-B]INDOLIZINE DERIVATIVES AND AZA ANALOGUES THEREOF; CRF 1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-05-02 EP disclosed
US-6495686-B2 THERAPY FOR PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-12-17 US disclosed
US-6194574-B1 SELECTIVELY BIND TO CORTICOTROPIN-RELEASING FACTOR (CRF1) RECEPTORS; FOR TREATING STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-02-27 US disclosed