SCHEMBL7359113

SCHEMBL7359113

CCOC(=O)Oc1ccc2c(c1)c(C(=O)CCc1ccc(C(=N)N)cc1)cn2C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.41
F2 P00734 6/20 0.41
PLA2G4A P47712 8/20 0.39
PRSS1 P07477 1/20 0.37
PLG P00747 1/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL7357141 0.86 F2 (0.38) F10F2PRSS1
SCHEMBL7359107 0.85 F2 (0.39) F10F2PLA2G4APRSS1
Hydrochloric Acid SCHEMBL7360989 0.84 F2 (0.38) F10F2PLA2G4APRSS1
Hydrochloric Acid SCHEMBL7355413 0.84 F2 (0.38) F10F2PRSS1
Hydrochloric Acid SCHEMBL7355969 0.83 F2 (0.38) F10F2PLA2G4APRSS1
Hydrochloric Acid SCHEMBL7362105 0.83 PLA2G4A (0.38) F10F2PLA2G4APRSS1
Hydrochloric Acid SCHEMBL7360554 0.83 F2 (0.37) F10F2PRSS1
Hydrochloric Acid SCHEMBL7353252 0.82 PLA2G4A (0.39) F10F2PLA2G4APRSS1
Hydrochloric Acid SCHEMBL7352968 0.82 F10 (0.36) F10F2PLA2G4APRSS1KMT2A
Iodide SCHEMBL7354314 0.82 F2 (0.40) F10F2PRSS1NQO2

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
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed