SCHEMBL31099083

SCHEMBL31099083

Cc1nc2c(cc1Br)CC[C@@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)N2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.39
MC4R P32245 9/20 0.33
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL31099068 1.00 ACACB (0.39) ACACBMC4RHDAC8
SCHEMBL31099110 1.00 ACACB (0.39) ACACBMC4RHDAC8
SCHEMBL31099032 0.88 MC4R (0.35) ACACBMC4R
SCHEMBL31207278 0.88 MC4R (0.35) ACACBMC4R
SCHEMBL31099029 0.88 ACACB (0.41) ACACBMC4R
SCHEMBL31099034 0.88 ACACB (0.41) ACACBMC4R
SCHEMBL31099054 0.85 MC4R (0.47) ACACBMC4R
SCHEMBL31099079 0.85 MC4R (0.47) ACACBMC4R
SCHEMBL31099026 0.83 ACACB (0.39) ACACBHDAC8
SCHEMBL31099111 0.83 ACACB (0.39) ACACBHDAC8

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