SCHEMBL30900388

SCHEMBL30900388

CN1CCN(Nc2ccccc2OC(F)(F)F)CC1CF

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.36
▸ SSTR4 P31391 2/20 0.35
▸ SSTR1 P30872 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ WNT3A P56704 4/20 0.35
▸ DRD2 P14416 4/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ HCN1 O60741 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL30900415 0.78 HCN1 (0.42) SSTR4SSTR1DDB1CRBNWNT3A
SCHEMBL18924894 0.72 DDB1 (0.39) SSTR4SSTR1UBE2MDCUN1D1DDB1
SCHEMBL30900381 0.66 SOS1 (0.39) CHRM3GAAMAPT
SCHEMBL13011378 0.64 PSIP1 (0.56) DDB1CRBNGAA
SCHEMBL5645988 0.63 GAA (0.49) DDB1CRBNGAAPOLBMAPT
SCHEMBL3192934 0.62 EPHX2 (0.57) DDB1CRBNGBA1GAAPOLB
SCHEMBL6235230 0.62 GAA (0.45) DDB1CRBNSLC6A3GBA1GAA
SCHEMBL20043263 0.60 GAA (0.46) DDB1CRBNGBA1GAAMAPT
SCHEMBL13011374 0.60 KIF11 (0.47) DDB1CRBNGAA
SCHEMBL6230288 0.60 GAA (0.43) UBE2MDCUN1D1DDB1CRBNSLC6A3

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-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 — — CN disclosed
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