SCHEMBL8307041

SCHEMBL8307041

CCOC(=O)CCc1cc(CCN)cc(Oc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.49
P2RX3 P56373 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNA7 P36544 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL8309682 0.90 TBXAS1 (0.60) TBXAS1P2RX3CYP4F2CYP4A11
SCHEMBL8305260 0.87 TBXAS1 (0.48) TBXAS1P2RX3CYP4F2CYP4A11LMNA
SCHEMBL8707244 0.86 TBXAS1 (0.46) TBXAS1P2RX3CYP4F2CYP4A11LMNA
SCHEMBL8308660 0.84 TBXAS1 (0.49) TBXAS1CYP4F2CYP4A11CHRNA7
SCHEMBL10663180 0.83 CYP4F2 (0.54) TBXAS1P2RX3CYP4F2CYP4A11MAPT
SCHEMBL8707246 0.82 TBXAS1 (0.46) TBXAS1P2RX3CYP4F2CYP4A11LMNA
SCHEMBL8308674 0.81 TBXAS1 (0.49) TBXAS1P2RX3ALDH1A1RAB9A
SCHEMBL8309271 0.80 TBXAS1 (0.79) TBXAS1LMNAALDH1A1TSHR
SCHEMBL8308679 0.79 CYP4F2 (0.41) TBXAS1CYP4F2CYP4A11LMNACHRNA7
SCHEMBL8306671 0.78 TBXAS1 (0.79) TBXAS1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed