SCHEMBL31649328

SCHEMBL31649328

COc1ccc(CN[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL31649187 0.93 TACR1 (0.41) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649340 0.93 TACR1 (0.41) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649306 0.83 KMT2A (0.38) TACR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL31649410 0.80 KMT2A (0.45) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649178 0.80 KMT2A (0.45) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649427 0.79 ALDH1A1 (0.46) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649428 0.79 KMT2A (0.45) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649329 0.79 KMT2A (0.41) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649366 0.79 F2 (0.45) TACR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31649055 0.78 ACE (0.46) KMT2AMAPK1

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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