SCHEMBL8977566

SCHEMBL8977566

CN1C(=O)C(NC(=O)c2cccc(I)c2)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 15/20 1.00
CCKBR P32239 15/20 1.00

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
SCHEMBL8977561 1.00 CCKAR (1.00) CCKARCCKBR
SCHEMBL8977580 0.89 CCKAR (1.00) CCKARCCKBR
SCHEMBL8977579 0.89 CCKAR (1.00) CCKARCCKBR
SCHEMBL8977576 0.88 CCKBR (0.79) CCKARCCKBR
SCHEMBL8977573 0.88 CCKBR (0.79) CCKARCCKBR
SCHEMBL9525575 0.83 CCKBR (1.00) CCKARCCKBR
SCHEMBL9526186 0.83 CCKBR (1.00) CCKARCCKBR
SCHEMBL9866426 0.82 CCKAR (1.00) CCKARCCKBR
SCHEMBL9866898 0.82 CCKAR (1.00) CCKARCCKBR
SCHEMBL9842702 0.82 CCKAR (1.00) 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
EP-0445976-B1 Gamma emitting, CCK-A antagonists for pancreatic imaging MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0445976-A1 Gamma emitting, CCK-A antagonists for pancreatic imaging MERCK & CO. INC. (US) 1991-09-11 EP disclosed
US-4994258-A Radiolabeled cholecystokinin-A antagonists bind to receptors MERCK & CO., INC. (US) 1991-02-19 US disclosed