SCHEMBL31649084

SCHEMBL31649084

COc1ccc(CN(C2CC2)[C@H](CO)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31649370 0.81 KMT2A (0.43) POLBTDP1SMN1; SMN2
SCHEMBL31649412 0.81 KMT2A (0.43) POLBTDP1SMN1; SMN2
SCHEMBL31649235 0.80 HTR2A (0.41) POLB
SCHEMBL31649339 0.79 DPP4 (0.42) HSD11B1
SCHEMBL31649429 0.79 CD274 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL31649062 0.76 ALDH1A1 (0.38) RAB9ASMN1; SMN2
SCHEMBL31649393 0.74 TSHR (0.41) POLBTDP1SMN1; SMN2
SCHEMBL31649223 0.74 SLC6A2 (0.40) POLBTDP1SMN1; SMN2
SCHEMBL31649406 0.73 KMT2A (0.40) POLBTDP1SMN1; SMN2
SCHEMBL31649053 0.73 KMT2A (0.40) POLBTDP1SMN1; SMN2

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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