SCHEMBL31099079

SCHEMBL31099079

Cc1nc2c(cc1-c1ncccn1)CC[C@@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)N2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 15/20 0.47
ACACB O00763 3/20 0.39
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
KCNH2 Q12809 1/20 0.36
HCRTR2 O43614 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
SCHEMBL31099054 1.00 MC4R (0.47) MC4RACACBMC5RMC3RKCNH2
SCHEMBL31099110 0.85 ACACB (0.39) MC4RACACB
SCHEMBL31099068 0.85 ACACB (0.39) MC4RACACB
SCHEMBL31099083 0.85 ACACB (0.39) MC4RACACB
SCHEMBL31099029 0.84 ACACB (0.41) MC4RACACB
SCHEMBL31099034 0.84 ACACB (0.41) MC4RACACB
SCHEMBL24094562 0.84 MC4R (0.61) MC4RACACBMC5RMC3RKCNH2
SCHEMBL30184883 0.84 MC4R (0.61) MC4RACACBMC5RMC3RKCNH2
SCHEMBL31099026 0.80 ACACB (0.39) ACACBKCNH2
SCHEMBL31099111 0.80 ACACB (0.39) ACACBKCNH2

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