SCHEMBL31099033

SCHEMBL31099033

CC(C)(C)OC(=O)N1CCC2(CCc3ccc(C(F)(F)F)nc3N2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ IDH1 O75874 2/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ ACACB O00763 5/20 0.38
▸ MC4R P32245 4/20 0.38
▸ ESR2 Q92731 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36

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
SCHEMBL31099041 0.88 MC4R (0.41) RORCCYP11B2ACACBMC4RESR2
SCHEMBL24853354 0.87 ACACB (0.42) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL24094546 0.87 ACACB (0.42) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL24094541 0.87 ACACB (0.42) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL31099087 0.84 CYP11B2 (0.39) CYP11B2ACACBMC4RESR2NR1H2
SCHEMBL31207242 0.82 MC4R (0.39) RORCCYP11B2ACACBMC4R
SCHEMBL31099044 0.82 MC4R (0.39) CYP11B2ACACBMC4R
SCHEMBL31099078 0.82 MC4R (0.39) RORCCYP11B2ACACBMC4R
SCHEMBL31099100 0.79 MC4R (0.41) CYP11B2ACACBMC4R
SCHEMBL31099106 0.79 MC4R (0.49) 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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