SCHEMBL8631396

SCHEMBL8631396

C=CCC1CN(c2ccncc2)CCN1CCC(Oc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
TGM2 P21980 1/20 0.35
TSHR P16473 4/20 0.35
CYP2C9 P11712 4/20 0.35
HRH1 P35367 3/20 0.35
CYP2D6 P10635 3/20 0.35
HIF1A Q16665 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HRH2 P25021 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
F10 P00742 1/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL8632825 0.83 FAAH (0.42) HRH3TSHRCYP2C9HRH1CYP2D6
SCHEMBL8631392 0.81 CYP2C9 (0.39) HRH3TGM2TSHRCYP2C9HRH1
SCHEMBL8630681 0.80 HRH3 (0.37) HRH3TSHRCYP2C9HRH1CYP2D6
SCHEMBL27462188 0.78 HRH3 (0.54) HRH3HRH1HRH2
SCHEMBL8635810 0.73 NPSR1 (0.34) HRH3TGM2TSHRCYP2C9CYP2D6
SCHEMBL8636929 0.70 MAPT (0.48) TSHRCYP2C9CYP2D6HIF1ASMN1; SMN2
SCHEMBL7400370 0.69 PPARG (0.50) HRH3TSHRCYP2C9CYP2D6HIF1A
SCHEMBL8631389 0.69 TSHR (0.40) HRH3TGM2TSHRCYP2C9HRH1
SCHEMBL27442363 0.68 HRH3 (0.49) HRH3HRH1HRH2
SCHEMBL8696501 0.68 CYP2C9 (0.49) HRH3TSHRCYP2C9HRH1CYP2D6

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
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US claimed
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