SCHEMBL6592750

SCHEMBL6592750

CCOC(=O)c1cnc2cc(OCCCC3CCCNC3)c(OC)cc2c1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.42
▸ ACP1 P24666 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EHMT2 Q96KQ7 3/20 0.40
▸ KIT P10721 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ IRAK4 Q9NWZ3 3/20 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
SCHEMBL6337390 0.91 KDM4E (0.46) DPP4ACP1KDM4EALDH1A1NPSR1
SCHEMBL6343097 0.90 ACP1 (0.42) ACP1EHMT2KITPDGFRBIRAK4
SCHEMBL6336695 0.82 ACP1 (0.41) ACP1EHMT2KITPDGFRBIRAK4
SCHEMBL6336770 0.81 KDM4E (0.40) DPP4ACP1KDM4EEHMT2
SCHEMBL6344436 0.81 SRC (0.47) EHMT2KIT
SCHEMBL22589588 0.80 DPP4 (0.53) DPP4NPSR1PDGFRB
SCHEMBL29409636 0.80 DPP4 (0.53) DPP4NPSR1PDGFRB
SCHEMBL6202289 0.79 DPP4 (0.60) DPP4NPSR1PDGFRB
SCHEMBL28319922 0.78 DPP4 (0.61) DPP4ALDH1A1NPSR1PDGFRB
SCHEMBL6334457 0.78 PDGFRB (0.59) KITPDGFRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490362-A2 (HOMO)PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES Millennium Pharmaceuticals, Inc. (US) 2004-12-29 — — EP disclosed
WO-2002072578-A2 (HOMO) PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES MILLENNIUM PHARMACEUTICALS (US) 2002-09-19 — — WO disclosed
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