SCHEMBL8683264

SCHEMBL8683264

CC(C)(C(=O)C(Oc1ccc(-c2ccncc2)cc1)C(=O)O)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
LSS P48449 1/20 0.36
CLK2 P49760 1/20 0.36
HTR3A P46098 1/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC1 Q13547 1/20 0.34
LDHA P00338 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 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
SCHEMBL8630425 0.76 TSHR (0.44) HRH2HRH1CYP1A2GAACYP2C9
SCHEMBL7425708 0.62 MKNK1 (0.72) LSSMAPK14MKNK1MKNK2
SCHEMBL8328609 0.62 SMN1; SMN2 (0.43) PKMLDHAHSD17B10PPARGPPARA
Trifluoroacetic Acid SCHEMBL6199874 0.61 L3MBTL1 (0.62) LSSMAPK14PKMMKNK1MKNK2
SCHEMBL10384362 0.60 HTR3E (0.49) HTR3AGAAHSD17B10
SCHEMBL7967170 0.60 PLD1 (0.43) HTR3AMAPK14MAPK11CYP1A2CYP2C19
SCHEMBL4745377 0.59 CA2 (0.38) GAAPKMHSD17B10
SCHEMBL24990328 0.59 ADRB2 (0.78) HTR3AROCK2
SCHEMBL14076366 0.59 LDHA (0.58) LDHAALOX15HSD17B10
SCHEMBL7318615 0.59 OPRD1 (0.41)

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