SCHEMBL31716812

SCHEMBL31716812

O=C(NCc1ccc(Cl)cc1C(F)(F)F)N1CC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.52
▸ FAAH O00519 5/20 0.51
▸ USP2 O75604 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ GPR183 P32249 1/20 0.46

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
SCHEMBL31716841 0.91 EPHX2 (0.57) EPHX2FAAHUSP2CYP3A4CYP2D6
SCHEMBL31717705 0.88 KCNH2 (0.58) EPHX2FAAHTSHRKCNH2MCHR1
SCHEMBL31717287 0.87 USP2 (0.48) FAAHUSP2CYP3A4CYP2D6TSHR
SCHEMBL31717291 0.86 EPHX2 (0.53) EPHX2FAAHUSP2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL31717484 0.84 USP2 (0.54) FAAHUSP2CYP3A4CYP2D6TSHR
SCHEMBL31717434 0.84 FAAH (0.58) EPHX2FAAHUSP2CYP3A4CYP2D6
SCHEMBL31716833 0.83 CYP3A4 (0.49) FAAHUSP2CYP3A4CYP2D6TSHR
Trifluoroacetic Acid SCHEMBL31716874 0.83 EPHX2 (0.48) EPHX2FAAHUSP2CYP2D6
Hydrochloric Acid SCHEMBL31717446 0.82 USP2 (0.58) EPHX2USP2CYP3A4CYP2D6TSHR
SCHEMBL31716802 0.82 GPR183 (0.48) EPHX2USP2CYP3A4CYP2D6TSHR

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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