SCHEMBL8469414

SCHEMBL8469414

CCOC(=O)Cc1c(CCc2ccc(OC)cc2)oc2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MTNR1A P48039 5/20 0.45
MTNR1B P49286 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
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

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
SCHEMBL27397704 0.92 MAPT (0.42) MAPTMTNR1AMTNR1BTSHRKDM4E
SCHEMBL7386931 0.87 MTNR1A (0.47) MAPTMTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL8469654 0.85 MTNR1A (0.45) MAPTMTNR1AMTNR1BTSHRKDM4E
SCHEMBL7390820 0.83 MAPT (0.60) MAPTNPSR1TSHRKDM4EPTGS2
SCHEMBL7390540 0.82 MTNR1A (0.46) MAPTMTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL7387533 0.80 GABRP (0.45) MAPTMTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL7386935 0.79 PTGS2 (0.45) MTNR1AMTNR1BKDM4EPTGS2ANO1
SCHEMBL7389449 0.78 CA12 (0.52) MAPTMTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL7386540 0.78 ANO1 (0.57) MAPTMTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL8469409 0.78 MAPT (0.42) MAPTMTNR1AMTNR1BSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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