SCHEMBL9832740

SCHEMBL9832740

C=CCC(Cc1c[nH]c2ccccc12)(NC(=O)OC(C)(C)C)C(=O)N(CCCCC)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.47
CCKAR P32238 1/20 0.43

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
SCHEMBL9832751 1.00 CCKBR (0.47) CCKBRCCKAR
SCHEMBL9834985 0.83 TACR1 (0.48)
SCHEMBL9834979 0.83 TACR1 (0.48)
SCHEMBL9834282 0.77 CCKBR (0.72) CCKBRCCKAR
SCHEMBL9083273 0.75 CCKBR (0.51) CCKBR
SCHEMBL9270557 0.73 CTSL (0.55) CCKBR
SCHEMBL9834632 0.72 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9016089 0.70 CTSL (0.59) CCKBR
SCHEMBL3020291 0.70 CTSL (0.59) CCKBR
SCHEMBL3020294 0.70 CTSL (0.59) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442878-A4 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS 1991-10-23 EP disclosed
EP-0442878-A1 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-08-28 EP disclosed
WO-1989010355-A1 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1989-11-02 WO disclosed
EP-0336356-A2 Derivatives of tryptophan as CCK antagonists ABBOTT LABORATORIES (US) 1989-10-11 EP disclosed