SCHEMBL11223672

SCHEMBL11223672

CCc1nc(Br)cnc1O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.38
EDNRA P25101 1/20 0.34

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
SCHEMBL11229329 0.78 CCR4 (0.39) CCR4EDNRA
SCHEMBL8055545 0.77 CCR4 (0.38) CCR4EDNRA
SCHEMBL30427027 0.77 CCR4 (0.38) CCR4EDNRA
SCHEMBL2553390 0.71
SCHEMBL29005490 0.71 CCR4 (0.38) CCR4
SCHEMBL28945973 0.71
SCHEMBL24674966 0.71 HCRTR1 (0.36)
SCHEMBL27223206 0.71 PDXK (0.34)
SCHEMBL8055301 0.71 CCR4 (0.35) CCR4EDNRA
SCHEMBL23250599 0.71 CCR4 (0.38) CCR4EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343802-A ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS MERCK, SHARP & DOHME (I.A.) CORP. (US) 1982-08-10 US disclosed
US-4193995-A B-ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-03-18 US disclosed
US-4042586-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1977-08-16 US disclosed
US-3946009-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1976-03-23 US disclosed