SCHEMBL31649413

SCHEMBL31649413

CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.49
▸ DPP8 Q6V1X1 8/20 0.47
▸ DPP7 Q9UHL4 7/20 0.47
▸ DPP9 Q86TI2 5/20 0.47
▸ FAP Q12884 3/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ CPT2 P23786 1/20 0.40
▸ CPT1A P50416 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ TACR1 P25103 1/20 0.39

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
SCHEMBL31649269 1.00 DPP4 (0.49) DPP4DPP8DPP7DPP9FAP
SCHEMBL31649359 0.81 DPP7 (0.55) DPP4DPP8DPP7DPP9FAP
SCHEMBL31649221 0.79 HSD11B1 (0.40) NPC1RAB9ASMN1; SMN2HSD11B1CPT2
SCHEMBL31649442 0.79 PRSS1 (0.41) NPC1RAB9ASMN1; SMN2HSD11B1ACE
SCHEMBL31649309 0.79 ACHE (0.43) PRSS1TACR1
SCHEMBL31649151 0.79 ACHE (0.43) DPP4DPP8DPP7DPP9FAP
SCHEMBL31649462 0.79 ACHE (0.43) DPP4DPP8DPP7DPP9FAP
SCHEMBL31649391 0.78 ACE (0.50) ACEF2PRSS1
SCHEMBL31369476 0.72 ALPI (0.55) NPC1RAB9ASMN1; SMN2
SCHEMBL31323977 0.72 ALPI (0.55) NPC1RAB9ASMN1; SMN2

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