SCHEMBL31717705

SCHEMBL31717705

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.58
▸ MCHR1 Q99705 1/20 0.58
▸ FAAH O00519 6/20 0.55
▸ KDM4E B2RXH2 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ EPHX2 P34913 3/20 0.53
▸ GPR183 P32249 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CHRM4 P08173 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ DDR1 Q08345 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL31717298 0.92 KCNH2 (0.55) KCNH2MCHR1FAAHKDM4ENPC1
SCHEMBL31717167 0.90 FAAH (0.53) KCNH2MCHR1FAAHKDM4ENPC1
SCHEMBL31717697 0.89 EEF2K (0.53) KCNH2MCHR1FAAHKDM4EEPHX2
SCHEMBL31717259 0.89 FAAH (0.58) KCNH2MCHR1FAAHKDM4EEPHX2
SCHEMBL31717686 0.88 FAAH (0.52) KCNH2MCHR1FAAHKDM4EMAPT
SCHEMBL31716812 0.88 EPHX2 (0.52) KCNH2MCHR1FAAHTSHREPHX2
Hydrochloric Acid SCHEMBL31717292 0.88 FAAH (0.51) KCNH2MCHR1FAAHKDM4ENPC1
SCHEMBL31716841 0.87 EPHX2 (0.57) KCNH2MCHR1FAAHTSHREPHX2
SCHEMBL31717107 0.86 EPHX2 (0.60) FAAHKDM4EMAPTEPHX2ALDH1A1
SCHEMBL31717518 0.86 FAAH (0.54) KCNH2MCHR1FAAHKDM4ERAB9A

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 1 patent. 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 disclosed
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