SCHEMBL31649010

SCHEMBL31649010

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL31649089 0.89 DPP4 (0.41) HSD11B1UBE2MDCUN1D1ALDH1A1CCR1
SCHEMBL31649016 0.88 HRH3 (0.36) HSD11B1DRD2DRD4ALDH1A1MEN1
SCHEMBL31649221 0.83 HSD11B1 (0.40) HSD11B1DRD2DRD4SMN1; SMN2NPC1
SCHEMBL31649304 0.82 NPC1 (0.39) HSD11B1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL31649284 0.80 HSD11B1 (0.39) HSD11B1POLBTDP1ALDH1A1
SCHEMBL31649339 0.78 DPP4 (0.42) HSD11B1DRD2DRD4ALDH1A1CCR1
SCHEMBL31649243 0.78 KMT2A (0.41) SMN1; SMN2POLBTDP1ALDH1A1MEN1
SCHEMBL31649455 0.78 KMT2A (0.41) SMN1; SMN2POLBTDP1ALDH1A1MEN1
SCHEMBL31649254 0.78 DRD2 (0.49) HSD11B1DRD2DRD4CCR1
SCHEMBL31649236 0.76 DRD2 (0.47) HSD11B1DRD2DRD4CYP2D6CCR1

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 2 patents. 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 claimed
WO-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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