SCHEMBL30557705

SCHEMBL30557705

[2H]C1CC2(C1)CC(NC(=O)c1csc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.40
PTGDR Q13258 4/20 0.40
TBXA2R P21731 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
DRD4 P21917 5/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR2A P28223 2/20 0.37
SLC6A5 Q9Y345 2/20 0.35
DRD2 P14416 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TEAD1 P28347 1/20 0.35
CNR2 P34972 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL25364945 0.89 PTGER4 (0.53) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL26783988 0.88 PTGER4 (0.44) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL26784907 0.86 PTGER4 (0.43) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL26034568 0.82 DRD4 (0.44) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL25364058 0.80 CNR2 (0.41) DRD4ALDH1A1DRD2CNR2CNR1
SCHEMBL26798680 0.80 DRD4 (0.42) DRD4KDM4EALDH1A1HTR2ASLC6A5
SCHEMBL26659866 0.76 PTGER4 (0.41) PTGER4KDM4ECNR2CNR1
SCHEMBL1845535 0.76 KDM4E (0.45) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL25365969 0.76 PTGER4 (0.42) PTGER4DRD4DRD2CNR2CNR1
SCHEMBL26785109 0.76 PTGER4 (0.42) PTGER4DRD4DRD2CNR2CNR1

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-2023158221-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING ANTICANCER AGENT AND NOVEL COMPOUND HAVING INHIBITORY ACTIVITY WITH RESPECT TO PROSTAGLANDIN E2 RECEPTORS 주식회사 카나프테라퓨틱스 2023-08-24 WO disclosed