SCHEMBL31649065

SCHEMBL31649065

Cc1ccccc1CN(C1CC1)[C@H](CN(C)Cc1ccccc1)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.39
▸ HSD11B1 P28845 4/20 0.39
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 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 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AGTR2 P50052 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ CPT2 P23786 1/20 0.34

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
SCHEMBL31649221 0.87 HSD11B1 (0.40) HSD11B1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31649206 0.85 OPRM1 (0.39) HSD11B1DPP4DPP9ALDH1A1SLC6A2
SCHEMBL31649462 0.85 ACHE (0.43) HSD11B1DPP4FAPDPP8DPP9
SCHEMBL31649151 0.85 ACHE (0.43) HSD11B1DPP4FAPDPP8DPP9
SCHEMBL31649158 0.83 ALDH1A1 (0.46) TACR1NPC1ALDH1A1MEN1KMT2A
SCHEMBL31649185 0.83 ALDH1A1 (0.46) TACR1NPC1ALDH1A1MEN1KMT2A
SCHEMBL31649409 0.83 RORC (0.40) HSD11B1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31649304 0.83 NPC1 (0.39) TACR1HSD11B1DPP4FAPDPP8
SCHEMBL31649296 0.83 HTR2A (0.40) HSD11B1ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL31649336 0.81 TACR1 (0.47) TACR1HSD11B1DPP4FAPDPP8

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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