SCHEMBL7300630

SCHEMBL7300630

CC1(C)C[CH]c2cccc(Br)c2O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL9583841 0.80 HTR2C (0.43)
SCHEMBL7290795 0.79 HTR2C (0.42) HTR2B
SCHEMBL7293354 0.79 HTR2C (0.42)
SCHEMBL7290458 0.75 KMT2A (0.35)
SCHEMBL7292475 0.75 TRPA1 (0.37)
SCHEMBL7300098 0.71
SCHEMBL7299519 0.71 LMNA (0.32)
SCHEMBL8897383 0.70 LMNA (0.48)
SCHEMBL1707125 0.69 MEN1 (0.40) HTR2B
SCHEMBL5365370 0.69 PPARD (0.38) HTR2B

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