SCHEMBL31717455

SCHEMBL31717455

O=C(NCc1ccc(C(F)(F)F)cc1C(F)(F)F)C1C2CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
KCNH2 Q12809 1/20 0.48
S1PR5 Q9H228 3/20 0.46
S1PR1 P21453 2/20 0.46
GRK5 P34947 1/20 0.46
CDK8 P49336 1/20 0.46
P2RX7 Q99572 3/20 0.46
SIGMAR1 Q99720 4/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
EPHX2 P34913 2/20 0.43
PPARG P37231 2/20 0.43
CHRM2 P08172 1/20 0.43
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
BACE1 P56817 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL31717583 1.00 MCHR1 (0.48) MCHR1CACNA1GCACNA1HKCNH2S1PR5
SCHEMBL31716906 0.88 MCHR1 (0.46) MCHR1CACNA1GCACNA1HKCNH2P2RX7
SCHEMBL31717636 0.88 MCHR1 (0.46) MCHR1CACNA1GCACNA1HKCNH2P2RX7
SCHEMBL31717185 0.86 P2RX7 (0.48) MCHR1KCNH2S1PR5S1PR1GRK5
SCHEMBL31717119 0.86 P2RX7 (0.48) MCHR1KCNH2S1PR5S1PR1GRK5
SCHEMBL31717417 0.84 FAAH (0.45) S1PR5S1PR1GRK5CDK8SIGMAR1
SCHEMBL31717259 0.80 FAAH (0.58) MCHR1KCNH2SIGMAR1HIF1AEPAS1
SCHEMBL31716795 0.78 USP2 (0.49) MCHR1KCNH2SIGMAR1EPHX2CHRM2
SCHEMBL708601 0.76 MCHR1 (0.52) MCHR1EPHX2CHRM2
Hydrochloric Acid SCHEMBL31717151 0.76 FAAH (0.53) MCHR1KCNH2SIGMAR1EPHX2CHRM2

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