SCHEMBL30608923

SCHEMBL30608923

CCCN1CC[C@H](Nc2cnccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.46
ROCK1 Q13464 5/20 0.46
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
JAK1 P23458 1/20 0.40
PABPC1 P11940 1/20 0.39
MAPK1 P28482 1/20 0.38
CCR2 P41597 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
NOS2 P35228 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
SCHEMBL30608922 0.84 HRH1 (0.41) ROCK2ROCK1HRH2HRH1CCR2
SCHEMBL23098104 0.83 HRH4 (0.47) HRH4
SCHEMBL30608962 0.72 ESR1 (0.38) HRH2HRH1
SCHEMBL2369918 0.72 HCAR3 (0.42) ROCK2ROCK1
SCHEMBL13633528 0.72 ROCK2 (0.87) ROCK2ROCK1CCR2
SCHEMBL22877113 0.69 KDM4E (0.50) HRH4
SCHEMBL5847287 0.69 KDM4E (0.46) HRH4
SCHEMBL30608947 0.69 NOS2 (0.50) NOS2
SCHEMBL30183229 0.68 KDM4E (0.53) HRH4
SCHEMBL9901706 0.68 KDM4E (0.53) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116964049-A Estrogen receptor modulators 里科瑞尔姆IP控股有限责任公司 2023-10-27 CN disclosed