SCHEMBL5744441

SCHEMBL5744441

Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)CC3NCCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CYP2D6 P10635 1/20 0.31
PFKFB3 Q16875 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SLC2A1 P11166 1/20 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
SCHEMBL5742196 0.88 CYP3A4 (0.34) CYP3A4KDM4ECYP2C19HIF1ABACE1
SCHEMBL2869251 0.83 KDM4E (0.32) CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL5744782 0.82 BACE1 (0.35) CYP3A4KDM4ECYP2C19HIF1ABACE1
SCHEMBL3596079 0.81 ABCB1 (0.43) TAAR1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL2008329 0.81 ABCB1 (0.43) TAAR1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL2881077 0.81 ABCB1 (0.43) TAAR1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL2008331 0.81 ABCB1 (0.43) TAAR1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL2873587 0.76 ABCB1 (0.41) TAAR1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL2013593 0.76 ABCB1 (0.41) TAAR1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL7258461 0.76 TAAR1 (0.44) TAAR1MAPTHTTALDH1A1BACE1

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