SCHEMBL8273785

SCHEMBL8273785

N#Cc1c(F)cccc1N1CCC(CNC(=O)[C@H](O)C(O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 7/20 0.51
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ CHRM4 P08173 2/20 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
SCHEMBL8221026 1.00 ADAM17 (0.51) ADAM17KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8273353 0.87 ADAM17 (0.61) ADAM17KDM4EALDH1A1DRD2HTR2A
SCHEMBL8274846 0.87 ADAM17 (0.61) ADAM17KDM4EALDH1A1DRD2HTR2A
SCHEMBL8274451 0.86 ADAM17 (0.45) ADAM17ALDH1A1DPP9MEN1KMT2A
SCHEMBL8221408 0.86 ADAM17 (0.51) ADAM17ALDH1A1DPP4DPP9MEN1
SCHEMBL8222661 0.84 ADAM17 (0.53) ADAM17MEN1KMT2ACHRM4
SCHEMBL8213656 0.83 ADAM17 (0.54) ADAM17MEN1KMT2ANAMPTCHRM4
SCHEMBL8222707 0.82 ADAM17 (0.49) ADAM17MEN1KMT2ANAMPT
SCHEMBL13544350 0.82 ADAM17 (0.47) ADAM17MEN1KMT2AGAANAMPT
SCHEMBL8213991 0.82 ADAM17 (0.55) ADAM17ALDH1A1DRD2MEN1KMT2A

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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