SCHEMBL8469409

SCHEMBL8469409

CCCC(=O)Oc1c(CCc2ccc(OC)cc2)oc2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
TP53 P04637 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42

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
SCHEMBL8469412 0.92 KDM4E (0.42) MAPTTP53ANO1MTNR1AMTNR1B
SCHEMBL8469647 0.85 MTNR1A (0.41) MAPTTP53SMN1; SMN2MTNR1AMTNR1B
SCHEMBL27332044 0.80 MAPT (0.41) MAPTCA12CA9GABRPGABRD
SCHEMBL7389449 0.79 CA12 (0.52) MAPTCA12CA9TP53GABRP
SCHEMBL7386540 0.79 ANO1 (0.57) MAPTCA12CA9GABRPGABRD
SCHEMBL8469650 0.79 MAPT (0.42) MAPTTP53SMN1; SMN2MTNR1AMTNR1B
SCHEMBL8469414 0.78 MAPT (0.46) MAPTTP53GABRPGABRDGABRA1
SCHEMBL7390820 0.78 MAPT (0.60) MAPTTP53NPSR1KDM4EHSD17B10
SCHEMBL7386931 0.78 MTNR1A (0.47) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL7390540 0.77 MTNR1A (0.46) MAPTCA12CA9GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097052-C Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 2002-12-25 CN disclosed
CN-1062865-C Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 2001-03-07 CN disclosed
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed