Sugi Predict

Sugi Predict / Compounds / SCHEMBL7310258

SCHEMBL7310258

SCHEMBL7310258

CCN1CCN(CCCN2CC(CN3CCC(CC(=O)O)(C(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR2B P41595 3/20 0.34
▸ SIGMAR1 Q99720 13/20 0.33
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7318785 0.92 MAPK1 (0.37) MAPK1L3MBTL1HTR2BSIGMAR1
SCHEMBL8858158 0.91 ALDH1A1 (0.34) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7314744 0.89 HTR2B (0.40) MAPK1L3MBTL1HTR2BSIGMAR1
SCHEMBL7303510 0.87 HTR2B (0.35) HTR2BSIGMAR1
SCHEMBL7304242 0.86 SIGMAR1 (0.41) HTR2BSIGMAR1
SCHEMBL8858192 0.85 ITGB3 (0.34) MAPK1L3MBTL1SIGMAR1ALDH1A1MEN1
SCHEMBL7313116 0.85 SIGMAR1 (0.34) HTR2BSIGMAR1MEN1KMT2AKDM4E
SCHEMBL7304510 0.84 MAPK1 (0.39) MAPK1L3MBTL1HTR2BALDH1A1MEN1
SCHEMBL7313570 0.84 MAPK1 (0.39) MAPK1L3MBTL1HTR2BSIGMAR1ALDH1A1
SCHEMBL7308028 0.84 MAPK1 (0.39) MAPK1L3MBTL1HTR2BALDH1A1MEN1

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
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 — — EP disclosed