SCHEMBL7299153

SCHEMBL7299153

CC1(C)C[CH]c2c(C#N)cccc2O1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TRPA1 O75762 2/20 0.31

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
SCHEMBL7290534 0.76 HTR2C (0.43)
SCHEMBL7299111 0.75 PKM (0.32)
SCHEMBL7300098 0.75
SCHEMBL7298699 0.75 HTR2C (0.42)
SCHEMBL7292475 0.74 TRPA1 (0.37) TSHRTRPA1
SCHEMBL7298536 0.72 KDM4E (0.35)
SCHEMBL4237083 0.72 DYRK1A (0.37) TSHRTRPA1
SCHEMBL7298517 0.71 KMT2A (0.31)
SCHEMBL7299156 0.70 TRPA1 (0.33) TSHRTRPA1
SCHEMBL7297056 0.69 TDP1 (0.41) TSHR

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
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed