SCHEMBL2878332

SCHEMBL2878332

Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)[C@H](O)[C@H]3OC(=O)NCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
KMT2A Q03164 3/20 0.41
KCNA5 P22460 8/20 0.40
MEN1 O00255 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TP53 P04637 1/20 0.35
ADCY1 Q08828 2/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 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
SCHEMBL2875733 0.92 TAAR1 (0.36) TAAR1KMT2AKCNA5MEN1TP53
SCHEMBL2008329 0.83 ABCB1 (0.43) TAAR1KMT2AKCNA5ABCC9
SCHEMBL2881077 0.83 ABCB1 (0.43) TAAR1KMT2AKCNA5ABCC9
SCHEMBL2008331 0.83 ABCB1 (0.43) TAAR1KMT2AKCNA5ABCC9
SCHEMBL3596079 0.83 ABCB1 (0.43) TAAR1KMT2AKCNA5ABCC9
SCHEMBL2889142 0.83 ABCB1 (0.36) TAAR1ABCC9
SCHEMBL2875833 0.80 ABCC9 (0.37) ABCC9
SCHEMBL2875832 0.80 ABCC9 (0.37) ABCC9
SCHEMBL2878334 0.80 KCNA5 (0.38) TAAR1KCNA5
SCHEMBL2873587 0.80 ABCB1 (0.41) TAAR1KCNA5ABCC9

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
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed