SCHEMBL31019940

SCHEMBL31019940

Cc1nc2c(cc1Br)CCC1(CN(C(=O)OC(C)(C)C)C[C@@H]1C)N2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 8/20 0.36
▸ ACACB O00763 7/20 0.35
▸ USP30 Q70CQ3 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL31019945 0.85 MC4R (0.44) ACACBMAPT
SCHEMBL31019938 0.83 RORC (0.36) RORCACACBNR1H2PIK3R1PIK3CA
SCHEMBL30184847 0.80 MC4R (0.44) ACACB
SCHEMBL24094563 0.80 MC4R (0.44) ACACB
SCHEMBL24853356 0.80 MC4R (0.44) ACACB
SCHEMBL24094586 0.80 MC4R (0.44) ACACB
SCHEMBL30184853 0.80 MC4R (0.44) ACACB
SCHEMBL30355177 0.80 MC4R (0.44) ACACB
SCHEMBL31099083 0.78 ACACB (0.39) ACACB
SCHEMBL31099068 0.78 ACACB (0.39) ACACB

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-118515671-A MC4R antagonist compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-08-20 — — CN disclosed
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