SCHEMBL31649016

SCHEMBL31649016

CNC[C@H](C(=O)N1CCC[C@H]2CCCC[C@@H]21)N(Cc1ccc(OC2CC2)cc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.36
▸ ACACB O00763 4/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 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
SCHEMBL31649089 0.91 DPP4 (0.41) HRH3HSD11B1DPP4ALDH1A1
SCHEMBL31649010 0.88 HSD11B1 (0.38) HSD11B1ALDH1A1MEN1KMT2ADRD2
SCHEMBL31649409 0.84 RORC (0.40) HRH3HSD11B1FAAHMEN1KMT2A
SCHEMBL31649339 0.80 DPP4 (0.42) HRH3HSD11B1DPP4ALDH1A1DRD2
SCHEMBL31649243 0.80 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31649455 0.80 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31649051 0.79 HTR2A (0.40) ALDH1A1MEN1KMT2A
SCHEMBL31649304 0.79 NPC1 (0.39) HSD11B1DPP4MAPT
SCHEMBL31649284 0.76 HSD11B1 (0.39) HSD11B1DPP4ALDH1A1
SCHEMBL31649254 0.74 DRD2 (0.49) HSD11B1DPP4DRD2DRD4

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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