SCHEMBL31716867

SCHEMBL31716867

O=C(NCc1ccc(Cl)cc1OC(F)(F)F)N1CC2(CN(Cc3ccccc3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.54
▸ DDR1 Q08345 4/20 0.42
▸ FAAH O00519 2/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2J2 P51589 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL31717291 0.92 EPHX2 (0.53) EPHX2DDR1FAAHUSP2
SCHEMBL31717303 0.91 EPHX2 (0.47) EPHX2CYP2C9CYP2J2USP2
SCHEMBL31717481 0.87 KCNH2 (0.53) EPHX2DDR1FAAHCYP2C9CYP2J2
SCHEMBL31716841 0.85 EPHX2 (0.57) EPHX2DDR1FAAHKCNH2MCHR1
Trifluoroacetic Acid SCHEMBL31716908 0.80 EPHX2 (0.48) EPHX2DDR1
SCHEMBL30924123 0.78 CHRM2 (0.59) KCNH2MCHR1
SCHEMBL31716802 0.78 GPR183 (0.48) EPHX2USP2
SCHEMBL31716795 0.78 USP2 (0.49) EPHX2FAAHKCNH2MCHR1USP2
SCHEMBL31716900 0.78 EEF2K (0.51) EPHX2FAAHCYP2C9CYP2J2
SCHEMBL31717698 0.77 FAAH (0.49) EPHX2FAAHCYP2C9CYP2J2MCHR1

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
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 — — WO claimed
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 — — WO disclosed
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