SCHEMBL8469563

SCHEMBL8469563

N#Cc1ccc2oc(CCCc3ccc(O)cc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.47
HRH3 Q9Y5N1 15/20 0.46
CYP19A1 P11511 1/20 0.40
KCNH2 Q12809 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL5032790 0.87 HRH3 (0.55) HTR2BHRH3KCNH2
SCHEMBL7389419 0.85 HRH3 (0.44) HRH3CA12CA2CA3CA6
SCHEMBL5034855 0.84 HRH3 (0.55) HRH3KCNH2
SCHEMBL8469405 0.84 HTR2B (0.48) HTR2BHRH3KCNH2
SCHEMBL5030411 0.83 HRH3 (0.54) HRH3KCNH2
SCHEMBL16808245 0.82 HRH3 (0.51) HTR2BHRH3KCNH2
SCHEMBL5032985 0.81 HRH3 (0.58) HRH3KCNH2
SCHEMBL7387927 0.81 HRH3 (0.48) HRH3KCNH2CA12CA2CA3
SCHEMBL5225993 0.79 HRH3 (0.54) HRH3KCNH2
SCHEMBL7393118 0.77 HRH3 (0.45) HRH3

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