SCHEMBL31649444

SCHEMBL31649444

CN(Cc1ccccc1)C[C@@H](NCc1ccc(F)cc1F)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ TACR1 P25103 5/20 0.40
▸ HSD11B1 P28845 2/20 0.39
▸ PSMB8 P28062 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36

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
SCHEMBL31649113 0.90 TACR1 (0.39) SIGMAR1TACR1ALDH1A1KDM4E
SCHEMBL31649336 0.85 TACR1 (0.47) TACR1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL31649427 0.83 ALDH1A1 (0.46) SIGMAR1TACR1NPC1ALDH1A1KDM4E
SCHEMBL31649206 0.83 OPRM1 (0.39) SIGMAR1HSD11B1ALDH1A1KDM4EOPRM1
SCHEMBL31649442 0.83 PRSS1 (0.41) TACR1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL31649309 0.80 ACHE (0.43) ACHETACR1ALDH1A1OPRM1
SCHEMBL31649407 0.79 ALDH1A1 (0.41) TACR1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL31649269 0.75 DPP4 (0.49) TACR1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL31649413 0.75 DPP4 (0.49) TACR1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL31649391 0.75 ACE (0.50) —

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-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
Send feedback