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SCHEMBL9544141

SCHEMBL9544141

CC(C)Oc1cccc(NC(=O)NC(C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)O)C(C)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.49
▸ OPRM1 P35372 6/20 0.41
▸ OPRD1 P41143 5/20 0.41
▸ OPRK1 P41145 5/20 0.41
▸ CFTR P13569 2/20 0.40
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ NPY1R P25929 2/20 0.37
▸ THRB P10828 1/20 0.36

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
SCHEMBL9544146 1.00 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1CFTR
SCHEMBL9542932 0.91 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1
SCHEMBL9542936 0.91 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1
SCHEMBL9542689 0.90 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1
SCHEMBL9542687 0.90 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1
SCHEMBL9543501 0.90 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1
SCHEMBL9542618 0.90 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1NPY1R
SCHEMBL9542615 0.90 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1NPY1R
SCHEMBL9543506 0.90 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1
SCHEMBL9543238 0.88 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO disclosed