SCHEMBL31717686

SCHEMBL31717686

O=C(NCc1ccc(Br)cc1C(F)(F)F)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.52
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ GPR183 P32249 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPT P10636 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
SCHEMBL31717259 0.88 FAAH (0.58) FAAHKDM4EALDH1A1ATMKCNH2
SCHEMBL31717697 0.88 EEF2K (0.53) FAAHKDM4EALDH1A1ATMGPR183
SCHEMBL31717705 0.88 KCNH2 (0.58) FAAHKDM4EALDH1A1ATMGPR183
Hydrochloric Acid SCHEMBL31717292 0.87 FAAH (0.51) FAAHKDM4EALDH1A1ATMKCNH2
SCHEMBL31717518 0.85 FAAH (0.54) FAAHKDM4EALDH1A1ATMKCNH2
SCHEMBL31717698 0.85 FAAH (0.49) FAAHKDM4EALDH1A1LMNAHPGD
SCHEMBL31717107 0.85 EPHX2 (0.60) FAAHKDM4EALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL31717151 0.84 FAAH (0.53) FAAHKCNH2MCHR1SIGMAR1NPSR1
SCHEMBL30924140 0.84 EPHX2 (0.56) SIGMAR1
SCHEMBL31717298 0.82 KCNH2 (0.55) FAAHKDM4EALDH1A1ATMKCNH2

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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