SCHEMBL28484335

SCHEMBL28484335

O=C(NC1[CH]C1)c1cccc2ccn(Cc3cc4ccc(F)cc4o3)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.36
PTGER4 P35408 4/20 0.36
PTGDR Q13258 4/20 0.36
TBXA2R P21731 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
MCHR1 Q99705 2/20 0.36
CYP2D6 P10635 4/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
KCNH2 Q12809 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
SCHEMBL28491847 0.93 HRH3 (0.38) CCR3PTGER4PTGDRTBXA2RPTGER1
SCHEMBL28484362 0.89 NPC1 (0.38) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL28487960 0.79 CYP19A1 (0.39) KCNH2
SCHEMBL22276154 0.78 PTGER4 (0.39) CCR3PTGER4PTGDRTBXA2RPTGER1
SCHEMBL23890305 0.78 PTGER4 (0.39) CCR3PTGER4PTGDRTBXA2RPTGER1
SCHEMBL28487995 0.74 EGLN2 (0.39) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276172 0.74 ATM (0.38)
SCHEMBL22276171 0.74 HDAC3 (0.38) PTGER4PTGDR
SCHEMBL28493532 0.74 PTGER4 (0.48) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL28487481 0.73 HDAC11 (0.42) PTGER4PTGDRTBXA2RPTGER1PTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989311-B Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2022-03-22 CN disclosed
CN-111989311-A Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2020-11-24 CN disclosed