SCHEMBL29676706

SCHEMBL29676706

CC(C)C1CCN(C(=O)NC2CCCCc3cc(Br)ccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.56
▸ CD69 Q07108 2/20 0.41
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCR2 P41597 3/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL16794009 1.00 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL16794448 0.84 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL29676859 0.84 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL20461159 0.84 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL29676632 0.84 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL16794208 0.84 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL20461142 0.82 BTK (0.41) BTKCD69LMNAKMT2ACCR2
SCHEMBL29676723 0.79 BTK (0.71) BTKCD69
SCHEMBL16794480 0.79 BTK (0.71) BTKCD69
SCHEMBL16794071 0.78 BTK (0.43) BTKCD69LMNAKMT2APOLB

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
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 — — CN disclosed
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