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SCHEMBL29835938

SCHEMBL29835938

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(OC)ccc(OC)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 1.00
▸ CYP3A4 P08684 1/20 0.91
▸ CYP2C8 P10632 1/20 0.91
▸ CYP2C9 P11712 1/20 0.91
▸ F2 P00734 1/20 0.80
▸ F11 P03951 1/20 0.80

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
SCHEMBL17785395 1.00 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785423 0.95 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785373 0.95 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL21120927 0.94 KLKB1 (0.89) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785346 0.94 KLKB1 (0.88) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL21145566 0.93 KLKB1 (0.88) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL21145618 0.93 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785418 0.92 KLKB1 (0.85) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785265 0.92 KLKB1 (0.85) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL29835923 0.92 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039681-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-08-10 — — EP disclosed
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