SCHEMBL31099041

SCHEMBL31099041

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ ACACB O00763 5/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ NR1H2 P55055 2/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ MKNK1 Q9BUB5 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
SCHEMBL24853354 0.88 ACACB (0.42) MC4RCYP11B2ACACBESR2NR1H2
SCHEMBL24094541 0.88 ACACB (0.42) MC4RCYP11B2ACACBESR2NR1H2
SCHEMBL24094546 0.88 ACACB (0.42) MC4RCYP11B2ACACBESR2NR1H2
SCHEMBL31099033 0.88 RORC (0.39) MC4RCYP11B2ACACBESR2NR1H2
SCHEMBL31099087 0.86 CYP11B2 (0.39) MC4RCYP11B2ACACBESR2NR1H2
SCHEMBL31099100 0.83 MC4R (0.41) MC4RCYP11B2ACACB
SCHEMBL31207241 0.80 MC4R (0.53) MC4RACACB
SCHEMBL24094563 0.80 MC4R (0.44) MC4RACACB
SCHEMBL24094586 0.80 MC4R (0.44) MC4RACACB
SCHEMBL24853356 0.80 MC4R (0.44) MC4RACACB

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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