SCHEMBL31649329

SCHEMBL31649329

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL31649064 0.95 DPP7 (0.42) KMT2AMEN1ABCB1TSHRDPP7
SCHEMBL31649033 0.86 KMT2A (0.36) KMT2AMEN1ABCB1TSHRDPP7
SCHEMBL31649178 0.83 KMT2A (0.45) KMT2AMEN1TSHRDPP7TACR1
SCHEMBL31649410 0.83 KMT2A (0.45) KMT2AMEN1TSHRDPP7TACR1
SCHEMBL31649036 0.83 ABCB1 (0.37) KMT2AMEN1ABCB1TSHRDPP7
SCHEMBL31649428 0.82 KMT2A (0.45) KMT2AMEN1TSHRDPP7TACR1
SCHEMBL31649328 0.79 TACR1 (0.42) KMT2AMEN1TSHRDPP7TACR1
SCHEMBL31649366 0.79 F2 (0.45) KMT2AMEN1TSHRDPP7TACR1
SCHEMBL31649340 0.78 TACR1 (0.41) KMT2AMEN1TSHRDPP7TACR1
SCHEMBL31649187 0.78 TACR1 (0.41) KMT2AMEN1TSHRDPP7TACR1

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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