SCHEMBL29676632

SCHEMBL29676632

CC(C)OC1CN(C(=O)NC2CCCCc3cc(Br)ccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.56
▸ CD69 Q07108 2/20 0.56
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ CCR2 P41597 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ CAMK2A Q9UQM7 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
SCHEMBL16794208 1.00 BTK (0.56) BTKCD69KMT2ALMNATRPV1
SCHEMBL16794071 0.86 BTK (0.43) BTKCD69KMT2ALMNATRPV1
SCHEMBL29676706 0.84 BTK (0.56) BTKCD69KMT2ALMNATRPV1
SCHEMBL16794009 0.84 BTK (0.56) BTKCD69KMT2ALMNATRPV1
SCHEMBL20461142 0.84 BTK (0.41) BTKCD69KMT2ALMNATRPV1
SCHEMBL18170398 0.80 USP30 (0.42) BTKCD69
SCHEMBL20461139 0.79 BTK (0.72) BTKCD69
SCHEMBL29676448 0.79 BTK (0.71) BTKCD69
SCHEMBL16794214 0.79 BTK (0.71) BTKCD69
SCHEMBL20461159 0.78 BTK (0.56) BTKCD69KMT2ALMNACCR2

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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