SCHEMBL6892600

SCHEMBL6892600

CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
CCKBR P32239 3/20 0.54
CDK4 P11802 6/20 0.52
CCND1 P24385 5/20 0.52
NMBR P28336 1/20 0.49
CDK2 P24941 1/20 0.48

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
SCHEMBL9086070 0.84 KMT2A (0.56) KMT2ATAAR1CCKBRCDK4
SCHEMBL9519964 0.82 TACR1 (0.48) CCKBR
SCHEMBL6892425 0.81 CCKBR (0.78) CCKBRNMBR
SCHEMBL27336638 0.80 KMT2A (0.54) KMT2ATAAR1CDK4CCND1CDK2
SCHEMBL9083273 0.79 CCKBR (0.51) CCKBR
SCHEMBL10625743 0.78 CCKBR (0.68) CCKBRNMBR
SCHEMBL8895086 0.78 KMT2A (0.51) KMT2ATAAR1CCKBR
SCHEMBL8895076 0.78 KMT2A (0.51) KMT2ATAAR1CCKBR
SCHEMBL8829876 0.76 CCKBR (0.68) KMT2ACCKBRNMBR
SCHEMBL18701548 0.76 CDK4 (0.68) CDK4CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492531-B1 THE INVENTION CONCERNS CHOLECYSTOKININ (CCK) ANTAGONISTS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS. ESPECIALLY USEFUL ARE CCK.SUB.B ANTAGONISTS SUCH AS CI-988. WARNER-LAMBERT COMPANY 2002-12-10 US claimed
EP-0405537-B1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER LAMBERT CO (US) 2004-09-08 EP disclosed
US-6492531-B1 THE INVENTION CONCERNS CHOLECYSTOKININ (CCK) ANTAGONISTS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS. ESPECIALLY USEFUL ARE CCK.SUB.B ANTAGONISTS SUCH AS CI-988. WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 US disclosed
US-5554643-A Pro-drugs for CCK antagonists WARNER-LAMBERT COMPANY (US) 1996-09-10 US disclosed
US-5340825-A Pro drugs for CCK antagonists WARNER-LAMBERT COMPANY (US) 1994-08-23 US disclosed
US-5318981-A Unnatural dipeptoids of alpha-substituted tyrosine-phenylalanine derivatives WARNER-LAMBERT COMPANY (US) 1994-06-07 US disclosed
US-5278316-A Indoles WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
US-5217957-A CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-06-08 US disclosed
WO-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed
WO-1993000897-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1993-01-21 WO disclosed
EP-0479910-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-04-15 EP disclosed
WO-1992004038-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed
WO-1991000274-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1991-01-10 WO disclosed
EP-0405537-A1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER-LAMBERT COMPANY (US) 1991-01-02 EP disclosed