SCHEMBL22276183

SCHEMBL22276183

O=C(O)CCC1(C2(NC(=O)c3cccc4ccn(Cc5ccc(-c6cnn(CCCO)c6)cn5)c34)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33
PDK2 Q15119 1/20 0.33
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22276148 0.87 TBXA2R (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL23890360 0.87 TBXA2R (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL23890380 0.83 TBXA2R (0.33) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL28484338 0.80 PIK3CA (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276340 0.77 TBXA2R (0.36) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276146 0.76 TBXA2R (0.36) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276149 0.75 TBXA2R (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276338 0.73 PTGER4 (0.39) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276163 0.73 PTGER4 (0.39) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276021 0.73 TBXA2R (0.35) TBXA2RPTGER1PTGER4PTGFRPTGER3

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
WO-2020151566-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF 凯复制药有限公司 2020-07-30 WO disclosed