SCHEMBL31649336

SCHEMBL31649336

Cc1ccccc1CN[C@H](CN(C)Cc1ccccc1)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 10/20 0.47
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ FAP Q12884 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL31649442 0.86 PRSS1 (0.41) TACR1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL31649444 0.85 BCHE (0.41) TACR1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL31649309 0.84 ACHE (0.43) TACR1MEN1KMT2A
SCHEMBL31649427 0.83 ALDH1A1 (0.46) TACR1NPC1KDM4EMEN1LMNA
SCHEMBL31649113 0.83 TACR1 (0.39) TACR1KDM4EMEN1KMT2AEPHX2
SCHEMBL31649407 0.82 ALDH1A1 (0.41) TACR1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL31649065 0.81 TACR1 (0.39) TACR1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL31649269 0.78 DPP4 (0.49) TACR1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL31649413 0.78 DPP4 (0.49) TACR1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL31649391 0.78 ACE (0.50) ACEKMT2A

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
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