SCHEMBL8275932

SCHEMBL8275932

CCCN(CC)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 7/20 0.45
▸ ADAM17 P78536 2/20 0.38
▸ CKS1B P61024 5/20 0.37
▸ SKP1 P63208 5/20 0.37
▸ SKP2 Q13309 5/20 0.37
▸ SSTR1 P30872 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 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
SCHEMBL8223154 0.82 CHRM4 (0.46) CHRM4ADAM17
SCHEMBL8222801 0.81 CHRM4 (0.49) CHRM4ADAM17
SCHEMBL8217041 0.79 CHRM4 (0.47) CHRM4ADAM17SSTR1SSTR4DRD2
SCHEMBL8222066 0.78 CHRM4 (0.45) CHRM4ADAM17DRD2
SCHEMBL8217133 0.76 CHRM4 (0.49) CHRM4ADAM17
SCHEMBL8222110 0.76 CHRM4 (0.45) CHRM4ADAM17CKS1BSKP1SKP2
SCHEMBL8221943 0.74 CHRM4 (0.43) CHRM4ADAM17
SCHEMBL8224737 0.74 CHRM4 (0.41) CHRM4ADAM17CKS1BSKP1SKP2
SCHEMBL8275503 0.74 CHRM4 (0.43) CHRM4ADAM17
SCHEMBL8221929 0.73 CHRM4 (0.44) CHRM4ADAM17SSTR1SSTR4DRD2

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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