SCHEMBL31717434

SCHEMBL31717434

O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)N1CC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.58
▸ ERN1 O75460 1/20 0.52
▸ GPR183 P32249 4/20 0.49
▸ USP2 O75604 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ OPRL1 P41146 3/20 0.48
▸ OPRM1 P35372 2/20 0.48
▸ CXCR3 P49682 1/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44

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
SCHEMBL31717418 0.88 FAAH (0.74) FAAHTSHRP2RX7
SCHEMBL31716812 0.84 EPHX2 (0.52) FAAHGPR183USP2CYP2D6CYP3A4
Trifluoroacetic Acid SCHEMBL31716872 0.83 P2RX7 (0.46) FAAHERN1GPR183USP2CYP2D6
SCHEMBL31717445 0.83 USP2 (0.56) FAAHGPR183USP2CYP2D6CYP3A4
SCHEMBL31717310 0.82 HDAC1 (0.47) ERN1EPHX2P2RX7
SCHEMBL31717287 0.79 USP2 (0.48) FAAHGPR183USP2CYP2D6CYP3A4
SCHEMBL896917 0.79 FAAH (0.64) FAAHCYP2D6
SCHEMBL31717291 0.76 EPHX2 (0.53) FAAHGPR183USP2CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL31717484 0.76 USP2 (0.54) FAAHERN1USP2CYP2D6CYP3A4
SCHEMBL12655412 0.74 FAAH (0.70) FAAHTSHREPHX2

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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