SCHEMBL31649148

SCHEMBL31649148

COc1ccc(CN[C@H](Cc2cnc[nH]2)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 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ TRHR P34981 1/20 0.40
▸ DPP7 Q9UHL4 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ REN P00797 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDE9A O76083 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
SCHEMBL31649270 0.83 DPP7 (0.39) KMT2AMEN1DPP7DPP4TSHR
SCHEMBL31649410 0.81 KMT2A (0.45) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649178 0.81 KMT2A (0.45) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649428 0.81 KMT2A (0.45) KMT2AMEN1DPP7DPP4TACR1
SCHEMBL31649329 0.77 KMT2A (0.41) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649366 0.77 F2 (0.45) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649086 0.76 F2 (0.44) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649427 0.76 ALDH1A1 (0.46) KMT2AMEN1TACR1TSHR
SCHEMBL31649328 0.76 TACR1 (0.42) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649352 0.74 ALDH1A1 (0.43) KMT2AMEN1

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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