SCHEMBL31649158

SCHEMBL31649158

COc1ccc(CN(C2CC2)[C@H](CN(C)Cc2ccccc2)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ TSHR P16473 4/20 0.45
▸ POLB P06746 4/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL31649185 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31649296 0.92 HTR2A (0.40) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31649151 0.89 ACHE (0.43) —
SCHEMBL31649223 0.89 SLC6A2 (0.40) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31649462 0.89 ACHE (0.43) —
SCHEMBL31649412 0.86 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31649370 0.86 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31649053 0.85 KMT2A (0.40) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31649406 0.85 KMT2A (0.40) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31649325 0.84 KMT2A (0.40) ALDH1A1KDM4EMEN1KMT2ANPSR1

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 2 patents. 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 claimed
WO-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
Send feedback