SCHEMBL31649260

SCHEMBL31649260

COc1ccc(CN(C2CC2)[C@H](CN)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.41
▸ RORC P51449 3/20 0.37
▸ CPS1 P31327 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ CTSD P07339 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ PSEN1 P49768 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
SCHEMBL31649235 0.92 HTR2A (0.41) HTR2ARORCCPS1ADRB2ALDH1A1
SCHEMBL31649406 0.90 KMT2A (0.40) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL31649053 0.90 KMT2A (0.40) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL31649051 0.90 HTR2A (0.40) HTR2ARORCCPS1ADRB2ALDH1A1
SCHEMBL31649296 0.85 HTR2A (0.40) HTR2ARORCALDH1A1MEN1KMT2A
SCHEMBL31649363 0.85 HTR2A (0.37) HTR2ARORCADRB2ALDH1A1MEN1
SCHEMBL31648994 0.85 TSHR (0.40) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL31649351 0.84 TSHR (0.39) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL31649369 0.83 TSHR (0.39) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL31649412 0.82 KMT2A (0.43) ALDH1A1MEN1KMT2APOLBHTT

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
Send feedback