SCHEMBL7124151

SCHEMBL7124151

CC(C)C(NC(=O)C(CO)Nc1cccc(C(=N)N)c1)C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.44
F10 P00742 7/20 0.42
PRSS1 P07477 5/20 0.42
POLB P06746 1/20 0.42
TPSAB1 Q15661 3/20 0.42
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
F2 P00734 2/20 0.39
EPHX2 P34913 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX5 P09917 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
Hydrochloric Acid SCHEMBL6367576 0.99 CASR (0.43) CASRF10PRSS1POLBTPSAB1
Hydrochloric Acid SCHEMBL6365782 0.90 CASR (0.44) CASRF10PRSS1TPSAB1ITGB3
Hydrochloric Acid SCHEMBL6365326 0.89 CASR (0.42) CASRF10PRSS1POLBTPSAB1
Hydrochloric Acid SCHEMBL6365798 0.85 F2 (0.46) F10PRSS1POLBF2
Hydrochloric Acid SCHEMBL6372912 0.84 ITGB3 (0.49) CASRF10PRSS1POLBTPSAB1
Hydrochloric Acid SCHEMBL6372927 0.82 ITGB3 (0.48) CASRF10PRSS1TPSAB1ITGB3
Hydrochloric Acid SCHEMBL6367337 0.82 SMN1; SMN2 (0.51) F10PRSS1POLB
Hydrochloric Acid SCHEMBL6365717 0.80 CASR (0.42) CASRF10PRSS1TPSAB1ITGB3
Hydrochloric Acid SCHEMBL6371655 0.79 EPHX2 (0.44) F10PRSS1POLBEPHX2
Hydrochloric Acid SCHEMBL6365494 0.79 MEN1 (0.47) ITGB3EPHX2ALOX5

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-1206444-B1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2003-11-12 EP disclosed