SCHEMBL5779381

SCHEMBL5779381

Cc1ccc(-c2[c]ccc(C)c2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL982200 0.83 ALDH1A1 (0.33) ACHE
SCHEMBL15067739 0.81 TRPA1 (0.31)
SCHEMBL10769045 0.81 RXRA (0.31)
SCHEMBL8074720 0.79 NOTUM (0.35) TDP1
SCHEMBL2349974 0.79 CYP2A6 (0.42)
SCHEMBL5850268 0.76 HSD17B10 (0.46) ACHETDP1
SCHEMBL11696260 0.75 HSD11B1 (0.42)
SCHEMBL3346134 0.74 ACHE (0.35) ACHETDP1
SCHEMBL2834322 0.71 PTGS2 (0.35) ACHETDP1
SCHEMBL10570766 0.71 HPGD (0.35) ACHETDP1

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
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed