SCHEMBL30608972

SCHEMBL30608972

FCCCN1CC[C@H](Nc2ccccn2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.47
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
DRD4 P21917 1/20 0.45
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM5A P29375 1/20 0.41
ADRA1A P35348 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CXCR4 P61073 1/20 0.37
GRIN2B Q13224 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL30608951 0.89 NOS2 (0.42) NOS2DRD2DRD3DRD4MEN1
SCHEMBL30608922 0.82 HRH1 (0.41) DRD2DRD3HRH2HRH1
SCHEMBL30422610 0.80 ROCK2 (0.43)
SCHEMBL13326542 0.79 DRD2 (0.65) DRD2DRD3DRD4HRH3SIGMAR1
SCHEMBL1307498 0.79 NOS2 (0.54) NOS2DRD2DRD3DRD4MEN1
SCHEMBL13118510 0.78 NOS2 (0.56) NOS2DRD2DRD3DRD4KDM5A
SCHEMBL11778139 0.77 GRIN2B (0.59) NOS2DRD2DRD3DRD4MEN1
SCHEMBL11777245 0.76 SIGMAR1 (0.56) NOS2DRD2DRD3DRD4HRH3
SCHEMBL25494073 0.76 HRH2 (0.42) HRH2HRH1
SCHEMBL11775409 0.76 SIGMAR1 (0.58) NOS2DRD2DRD3DRD4MEN1

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