SCHEMBL31099087

SCHEMBL31099087

[2H]C([2H])([2H])c1ccc2c(n1)NC1(CC2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.39
▸ ACACB O00763 5/20 0.38
▸ MC4R P32245 8/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.34

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
SCHEMBL24094546 0.93 ACACB (0.42) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL24853354 0.93 ACACB (0.42) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL24094541 0.93 ACACB (0.42) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL31099041 0.86 MC4R (0.41) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL31099033 0.84 RORC (0.39) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL31099076 0.82 MC4R (0.41) CYP11B2ACACBMC4R
SCHEMBL31099055 0.82 MC4R (0.41) CYP11B2ACACBMC4R
SCHEMBL31207260 0.82 MC4R (0.41) CYP11B2ACACBMC4R
SCHEMBL31099077 0.82 MC4R (0.41) CYP11B2ACACBMC4R
SCHEMBL31099067 0.79 MC4R (0.55) ACACBMC4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 — — WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 — — CN disclosed
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