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SCHEMBL7308947

SCHEMBL7308947

CCOC(=O)CC(C(=O)OCC)N1CCN(CC2CN(CCN3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 4/20 0.42
▸ SIGMAR1 Q99720 5/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL7307507 0.95 HTR2B (0.41) HTR2BSIGMAR1ITGB3ITGA2BALDH1A1
SCHEMBL7315394 0.95 HTR2B (0.41) HTR2BSIGMAR1ITGB3ITGA2BALDH1A1
SCHEMBL8858127 0.93 HTR2B (0.37) HTR2BSIGMAR1ITGB3ITGA2BALDH1A1
SCHEMBL7307194 0.91 ACHE (0.42) HTR2B
SCHEMBL7314824 0.90 LMNA (0.42) HTR2BSIGMAR1ITGB3ITGA2BALDH1A1
SCHEMBL7309081 0.90 ACHE (0.42) HTR2BALDH1A1
SCHEMBL7311554 0.89 ACHE (0.41) HTR2BALDH1A1
SCHEMBL8858099 0.89 MAPK1 (0.38) HTR2BSIGMAR1ITGB3ITGA2BALDH1A1
SCHEMBL8858076 0.89 MAPK1 (0.38) HTR2BSIGMAR1ITGB3ITGA2BALDH1A1
SCHEMBL7313564 0.88 ITGB3 (0.39) HTR2BITGB3ITGA2B

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