SCHEMBL31649113

SCHEMBL31649113

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL31649427 0.91 ALDH1A1 (0.46) TACR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL31649444 0.90 BCHE (0.41) TACR1ALDH1A1KDM4ESIGMAR1
SCHEMBL31649309 0.88 ACHE (0.43) TACR1MEN1KMT2AALDH1A1POLB
SCHEMBL31649352 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM1AMAOA
SCHEMBL31649296 0.84 HTR2A (0.40) MEN1KMT2AHTR2AALDH1A1KDM4E
SCHEMBL31649336 0.83 TACR1 (0.47) TACR1MEN1KMT2AKDM4EEPHX2
SCHEMBL31649407 0.81 ALDH1A1 (0.41) TACR1MEN1KMT2AALDH1A1PRMT5
SCHEMBL31649382 0.81 KMT2A (0.38) MEN1KMT2AALDH1A1NPSR1KDM1A
SCHEMBL31649442 0.80 PRSS1 (0.41) TACR1MEN1KMT2APRMT5WDR77
SCHEMBL31649410 0.79 KMT2A (0.45) TACR1MEN1KMT2AALDH1A1POLB

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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