SCHEMBL8565331

SCHEMBL8565331

CCCCCC(=O)NC(CC1CN(c2ccccc2)C(=O)N1c1ccc2c(c1)CCNCC2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
NOD1 Q9Y239 2/20 0.39
HTR6 P50406 4/20 0.38
FAAH O00519 2/20 0.37
ITGAV P06756 2/20 0.36
ITGB6 P18564 2/20 0.36
ACE P12821 3/20 0.36
ACE2 Q9BYF1 3/20 0.36
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
UGCG Q16739 1/20 0.35

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
SCHEMBL8563033 0.78 HTR6 (0.45) HTR6TSHR
SCHEMBL8563850 0.78 ITGB3 (0.52) ITGB3ITGA2BFAAHACEACE2
SCHEMBL8558617 0.76 HTR6 (0.42) HTR6FAAH
SCHEMBL8565326 0.73 ITGB3 (0.40) ITGB3ITGA2BNOD1FAAHITGAV
Acetic Acid SCHEMBL8562511 0.72 HTR6 (0.40) HTR6
SCHEMBL8566149 0.71 HTR6 (0.39) HTR6PLA2G1BATG4B
Hydrochloric Acid SCHEMBL8557446 0.70 HTR6 (0.38) ITGB3ITGA2BHTR6
SCHEMBL8563223 0.69 HTR2C (0.36) ITGB3ITGA2BHTR6
SCHEMBL8561286 0.69 HTR6 (0.45) HTR6
SCHEMBL8417057 0.68 ITGB3 (0.40) ITGB3ITGA2BITGAV

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
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed