SCHEMBL7048731

SCHEMBL7048731

C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O)C(=O)NC[C@H](NC(=O)CCc1nnn[nH]1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.56
CCKBR P32239 1/20 0.56

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
SCHEMBL8829888 1.00 CCKAR (0.56) CCKARCCKBR
SCHEMBL7048733 1.00 CCKAR (0.56) CCKARCCKBR
SCHEMBL7662955 0.89 CCKAR (0.57) CCKARCCKBR
SCHEMBL6892993 0.89 CCKAR (0.57) CCKARCCKBR
SCHEMBL9539016 0.87 CCKAR (0.48) CCKARCCKBR
SCHEMBL9539010 0.87 CCKAR (0.48) CCKARCCKBR
SCHEMBL9538153 0.86 CCKAR (0.53) CCKARCCKBR
SCHEMBL9540716 0.84 TACR1 (0.45)
SCHEMBL7664332 0.84 TACR1 (0.45)
SCHEMBL9518839 0.83 CCKAR (0.65) CCKARCCKBR

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 11 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
US-5217957-A CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-06-08 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-5340825-A Pro drugs for CCK antagonists WARNER-LAMBERT COMPANY (US) 1994-08-23 US disclosed
EP-0594692-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1994-05-04 EP disclosed
US-5217957-A CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-06-08 US disclosed
WO-1993000897-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1993-01-21 WO disclosed