SCHEMBL24814616

SCHEMBL24814616

Cc1nnc2nc(N3CCN(C)Cc4c(Br)cccc43)c3cc(F)ccc3n12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.35
HRH1 P35367 6/20 0.33
DHODH Q02127 4/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL30047454 1.00 HTR6 (0.35) HTR6HRH1DHODHHTR3EHTR3B
SCHEMBL23576692 0.89 DHODH (0.36) HTR6DHODH
SCHEMBL29909342 0.89 DHODH (0.36) HTR6DHODH
SCHEMBL30047169 0.85 DHODH (0.32) HTR6DHODH
SCHEMBL30047655 0.83 MAPT (0.33)
SCHEMBL24813109 0.83 MAPT (0.33)
SCHEMBL24813112 0.83 MAPT (0.36)
SCHEMBL30047261 0.83 MAPT (0.36)
SCHEMBL24815997 0.82 ADORA3 (0.32) HTR6HRH1DHODH
SCHEMBL24815998 0.82 PTAFR (0.31) HTR6HRH1DHODH

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-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed