SCHEMBL9341437

SCHEMBL9341437

CCCCc1cccc(=O)n1Cc1ccc(OCc2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.49
▸ MAOB P27338 2/20 0.43
▸ ADAMTS4 O75173 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ ADAM17 P78536 1/20 0.38

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
SCHEMBL9339293 0.84 ATM (0.38) FFAR1
SCHEMBL9337200 0.80 TSHR (0.43) —
SCHEMBL9337497 0.80 PPARG (0.56) —
SCHEMBL9337412 0.77 PPARG (0.55) —
SCHEMBL8092210 0.75 AGTR2 (0.55) FFAR1
SCHEMBL9340928 0.74 AGTR1 (0.43) —
SCHEMBL9339133 0.74 TSHR (0.47) —
SCHEMBL568 0.74 — —
SCHEMBL585 0.74 AGTR1 (0.57) —
SCHEMBL9336977 0.74 ESR1 (0.42) TP53

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
US-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 — — US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 — — EP disclosed
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