SCHEMBL8829888

SCHEMBL8829888

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
SCHEMBL7048731 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1992004038-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed