SCHEMBL27314367

SCHEMBL27314367

COc1cccc(C2CC(NC(=O)c3ccccn3)CN(C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.51
▸ HTR1A P08908 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ GRM5 P41594 5/20 0.46
▸ ADRA1A P35348 2/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ TNKS2 Q9H2K2 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NAAA Q02083 1/20 0.43

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
SCHEMBL27314372 1.00 GRM4 (0.51) GRM4HTR1AHTR2ADRD3GRM5
SCHEMBL27314347 0.89 RAB9A (0.51) GRM4GRM5TNKS2KDM4EKMT2A
SCHEMBL27314345 0.89 RAB9A (0.51) GRM4GRM5TNKS2KDM4EKMT2A
SCHEMBL28824301 0.86 GRM5 (0.54) GRM5TNKS2KDM4EKMT2AGAA
SCHEMBL27314363 0.85 USP30 (0.50) GRM4HTR1AHTR2ADRD3GRM5
SCHEMBL27314359 0.85 USP30 (0.50) GRM4HTR1AHTR2ADRD3GRM5
SCHEMBL30746898 0.85 USP30 (0.50) GRM4HTR1AHTR2ADRD3GRM5
SCHEMBL30830988 0.82 GRM5 (0.47) GRM5TNKS2KDM4EKMT2AGAA
SCHEMBL31091772 0.81 GRM5 (0.50) GRM5TNKS2KDM4EKMT2AGAA
SCHEMBL28431573 0.80 NPC1 (0.52) GRM5TNKS2KDM4EKMT2AGAA

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-2024003533-A1 PROTACS FOR TARGETED DEGRADATION OF KAT2A AND KAT2B FOR THE TREATMENT OF CANCER UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2024-01-04 — — WO disclosed
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