SCHEMBL8469647

SCHEMBL8469647

CCCC(=O)Oc1c(CCc2ccc(OC)cc2)oc2ccc(C#N)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 1/20 0.38
CYP2C9 P11712 1/20 0.37
VNN1 O95497 2/20 0.36

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
SCHEMBL8469650 0.92 MAPT (0.42) MTNR1AMTNR1BMAPTTP53POLB
SCHEMBL8469409 0.85 MAPT (0.42) MTNR1AMTNR1BMAPTTP53SMN1; SMN2
SCHEMBL7388946 0.81 ANO1 (0.45) MTNR1AMTNR1BMAPTPOLBCNR1
SCHEMBL7392563 0.81 MTNR1A (0.47) MTNR1AMTNR1BMAPTTP53POLB
SCHEMBL8469654 0.80 MTNR1A (0.45) MTNR1AMTNR1BMAPTTP53POLB
SCHEMBL7384691 0.79 KDM4E (0.55) MAPTTP53
SCHEMBL8469412 0.79 KDM4E (0.42) MTNR1AMTNR1BMAPTTP53CYP2C9
SCHEMBL7392060 0.79 MTNR1A (0.48) MTNR1AMTNR1BMAPTPOLBCNR1
SCHEMBL7392062 0.73 CYP2C9 (0.45) MTNR1AMTNR1BMAPTTP53POLB
SCHEMBL5227728 0.73 SLC22A12 (0.54) MAPTCNR1CNR2CYP3A4ALOX15

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