SCHEMBL8632345

SCHEMBL8632345

CN(C(C(=O)O)C(=O)c1ccccc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
PLOD2 O00469 2/20 0.40
PLOD3 O60568 2/20 0.40
PLOD1 Q02809 2/20 0.40
AKR1C3 P42330 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
KHK P50053 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7947476 0.72 F2 (0.46) GAAKDM4EMAPTHRH3CYP2C9
SCHEMBL7961639 0.71 SMN1; SMN2 (0.70) KDM4EMAPTHRH3CYP2C9CYP2C19
SCHEMBL8637058 0.70 POLB (0.41) MAPTHRH3CYP2C9CYP2C19ALDH1A1
SCHEMBL7947472 0.69 SMN1; SMN2 (0.43) GAAKDM4EMAPTHRH3CYP2C9
SCHEMBL27651806 0.68 TSHR (0.51) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL18590696 0.68 CHKA (0.67) GAAKDM4EMAPTHRH3CYP2C9
SCHEMBL7402715 0.68 PLOD2 (0.53) GAAKDM4EMAPTPLOD2PLOD3
SCHEMBL8838002 0.67 HRH3 (0.53) GAAKDM4EMAPTHRH3CYP2C9
SCHEMBL8631458 0.67 HRH3 (0.50) GAAKDM4EMAPTHRH3CYP2C9
SCHEMBL27463569 0.67 POLB (0.64) KDM4EMAPTHRH3ALDH1A1TSHR

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed