SCHEMBL31649221

SCHEMBL31649221

CCc1ccc(CN(C2CC2)[C@H](CN(C)Cc2ccccc2)C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ AGTR2 P50052 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ FKBP1A P62942 2/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 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
SCHEMBL31649151 0.90 ACHE (0.43) HSD11B1UBE2MDCUN1D1
SCHEMBL31649462 0.90 ACHE (0.43) HSD11B1UBE2MDCUN1D1
SCHEMBL31649409 0.89 RORC (0.40) HSD11B1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL31649065 0.87 TACR1 (0.39) HSD11B1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL31649206 0.84 OPRM1 (0.39) HSD11B1KDM4E
SCHEMBL31649010 0.83 HSD11B1 (0.38) HSD11B1MEN1KMT2AUBE2MDCUN1D1
SCHEMBL31649185 0.82 ALDH1A1 (0.46) MEN1KMT2ANPC1KDM4E
SCHEMBL31649442 0.81 PRSS1 (0.41) HSD11B1MEN1KMT2AUBE2MDCUN1D1
SCHEMBL31649269 0.79 DPP4 (0.49) HSD11B1SMN1; SMN2NPC1RAB9ACPT2
SCHEMBL31649413 0.79 DPP4 (0.49) HSD11B1SMN1; SMN2NPC1RAB9ACPT2

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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