SCHEMBL31649458

SCHEMBL31649458

COc1ccc(CN[C@H](CO)C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ DPP4 P27487 2/20 0.44
▸ FAP Q12884 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL31649352 0.84 ALDH1A1 (0.43) ALDH1A1HSD11B1EPHX2KMT2A
SCHEMBL31649309 0.83 ACHE (0.43) ALDH1A1HRH3KMT2A
SCHEMBL31649298 0.80 ALDH1A1 (0.38) ALDH1A1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL31649429 0.78 CD274 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL31649339 0.76 DPP4 (0.42) ALDH1A1HRH3DPP4FAPDPP8
SCHEMBL31649178 0.75 KMT2A (0.45) ALDH1A1DPP7KMT2A
SCHEMBL31649410 0.75 KMT2A (0.45) ALDH1A1DPP7SMN1; SMN2KMT2AGAA
SCHEMBL31649428 0.74 KMT2A (0.45) ALDH1A1DPP4FAPDPP8DPP9
SCHEMBL770444 0.74 ALDH1A1 (0.51) ALDH1A1HRH3DPP4PKMNPC1
SCHEMBL25260132 0.72 ALDH1A1 (0.46) ALDH1A1PKMNPC1RAB9ASMN1; 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 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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