SCHEMBL6738719

SCHEMBL6738719

CCc1nc2c(-c3ccc(Cl)cc3Cl)nccc2n1C(CC)CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL7035128 0.92
SCHEMBL7038190 0.90
SCHEMBL7035823 0.87
SCHEMBL7031214 0.86
SCHEMBL7035527 0.86
SCHEMBL7031430 0.85
SCHEMBL6737393 0.85
SCHEMBL7036209 0.85
SCHEMBL7034371 0.85
SCHEMBL7034873 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists GILLIGAN PAUL JOSEPH (US) 2004-02-05 US disclosed
US-6642230-B2 Administering novel compounds which bind to corticotropin releasing factor receptors, thereby altering anxiogenic effects of CRF secretion BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-06-19 US disclosed
US-6579876-B2 Imidazo(4,5-d)pyridazines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-17 US disclosed
US-20030055059-A1 For therapy of psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease GILLIGAN PAUL JOSEPH (US) 2003-03-20 US disclosed
US-6521636-B1 Treatment of psychiatric disorders and neurological diseases BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 US disclosed
US-6365589-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-02 US disclosed
US-6362180-B1 ANTAGONIST TO CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US disclosed
US-6143743-A TREATMENT OF NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-07 US disclosed