SCHEMBL31649296

SCHEMBL31649296

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ CCR5 P51681 1/20 0.34

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
SCHEMBL31649158 0.92 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL31649185 0.92 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL31649206 0.91 OPRM1 (0.39) HTR2AALDH1A1KDM4ESIGMAR1RORC
SCHEMBL31649151 0.89 ACHE (0.43) SIGMAR1KCNA5HSD11B1CCR5
SCHEMBL31649462 0.89 ACHE (0.43) SIGMAR1KCNA5HSD11B1CCR5
SCHEMBL31649235 0.86 HTR2A (0.41) HTR2AALDH1A1MEN1KMT2APOLB
SCHEMBL31649260 0.85 HTR2A (0.41) HTR2AALDH1A1MEN1KMT2APOLB
SCHEMBL31649051 0.84 HTR2A (0.40) HTR2AALDH1A1MEN1KMT2APOLB
SCHEMBL31649113 0.84 TACR1 (0.39) HTR2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL31649065 0.83 TACR1 (0.39) ALDH1A1MEN1KMT2AKDM4ESIGMAR1

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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