SCHEMBL8275469

SCHEMBL8275469

Cc1ccc(N2CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4cnn(C)c4C3)CC2)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 2/20 0.36
▸ HPGDS O60760 1/20 0.32
▸ NAMPT P43490 3/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL8273768 0.91 HPGDS (0.38) ADAM17HPGDSNAMPTPDGFRBKDR
SCHEMBL8217550 0.82 ADAM17 (0.44) ADAM17HPGDSNAMPT
SCHEMBL8274740 0.79 HPGDS (0.36) HPGDSKDM4EDPP8DPP9NPC1
SCHEMBL8274407 0.76 ADAM17 (0.43) ADAM17NAMPTDPP8DPP9ALDH1A1
SCHEMBL8276118 0.76 ADAM17 (0.43) ADAM17NAMPTDPP8DPP9ALDH1A1
SCHEMBL8275874 0.76 ADAM17 (0.43) ADAM17NAMPTKDM4EDPP8DPP9
SCHEMBL8275285 0.76 NAMPT (0.42) NAMPTHDAC1HDAC2
SCHEMBL8275791 0.75 KDM4E (0.34) ADAM17KDM4ENPC1MAPTRAB9A
SCHEMBL8276983 0.75 ADAM17 (0.45) ADAM17NAMPT
SCHEMBL8275981 0.75 NAMPT (0.42) ADAM17NAMPTDPP8DPP9ALDH1A1

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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