SCHEMBL31649366

SCHEMBL31649366

COc1ccc(CN[C@H](CN2C(=O)c3ccccc3C2=O)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CD274 Q9NZQ7 4/20 0.41
▸ PDCD1 Q15116 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 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
SCHEMBL31649086 0.92 F2 (0.44) F2TAS1R3TAS1R1TACR1KMT2A
SCHEMBL31649382 0.91 KMT2A (0.38) F2KMT2AMEN1RAB9ANPSR1
SCHEMBL31649068 0.91 F2 (0.43) F2TAS1R3TAS1R1TACR1KMT2A
SCHEMBL31649177 0.91 F2 (0.43) F2TAS1R3TAS1R1TACR1KMT2A
SCHEMBL31649178 0.83 KMT2A (0.45) TACR1KMT2AMEN1LMNADPP7
SCHEMBL31649410 0.83 KMT2A (0.45) TACR1KMT2AMEN1LMNADPP7
SCHEMBL31649428 0.82 KMT2A (0.45) TACR1KMT2AMEN1LMNADPP7
SCHEMBL31649408 0.82 MEN1 (0.41) F2TACR1KMT2AMEN1RAB9A
SCHEMBL31649427 0.81 ALDH1A1 (0.46) TAS1R3TAS1R1TACR1KMT2AMEN1
SCHEMBL31649329 0.79 KMT2A (0.41) TACR1KMT2AMEN1LMNADPP7

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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