SCHEMBL8686293

SCHEMBL8686293

CNC(=O)C(Oc1ccccc1)C(=O)OC1CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
F10 P00742 14/20 0.46
CYP2C9 P11712 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
F2 P00734 3/20 0.41
ELANE P08246 1/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
Hydrochloric Acid SCHEMBL8686214 0.85 HRH3 (0.50) HRH3F10CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8701848 0.76 GPR119 (0.38) HRH3F10
SCHEMBL8695326 0.75 F10 (0.41) HRH3F10CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8634120 0.75 SPHK1 (0.45) HRH3F10SMN1; SMN2MAPT
SCHEMBL8633876 0.74 HRH3 (0.49) HRH3F10CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8633871 0.74 CYP2C9 (0.53) HRH3F10CYP2C9SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8683467 0.72 F10 (0.43) HRH3F10CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8683270 0.72 F10 (0.44) HRH3F10CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL7401896 0.71 HRH3 (0.62) HRH3CYP2C9SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL8633669 0.70 CYP2C9 (0.44) HRH3CYP2C9SMN1; SMN2ALDH1A1CYP2D6

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

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