SCHEMBL31019938

SCHEMBL31019938

Cc1ccc2c(n1)NC1(CC2)CN(C(=O)OC(C)(C)C)C[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ ACACB O00763 6/20 0.35
▸ NR1H2 P55055 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
SCHEMBL31019940 0.83 RORC (0.36) RORCPIK3R1PIK3CAACACBNR1H2
SCHEMBL31019945 0.81 MC4R (0.44) ACACB
SCHEMBL24853354 0.78 ACACB (0.42) GRM5ACACBNR1H2
SCHEMBL24094541 0.78 ACACB (0.42) GRM5ACACBNR1H2
SCHEMBL24094546 0.78 ACACB (0.42) GRM5ACACBNR1H2
SCHEMBL31099111 0.77 ACACB (0.39) DDB1CRBNGRM5ACACBNR1H2
SCHEMBL31099026 0.77 ACACB (0.39) DDB1CRBNGRM5ACACBNR1H2
SCHEMBL31099087 0.72 CYP11B2 (0.39) ACACBNR1H2
SCHEMBL31099041 0.69 MC4R (0.41) RORCACACBNR1H2
SCHEMBL5761360 0.68 HTR2A (0.50) SSTR4PIK3R1PIK3CAGRM5

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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