SCHEMBL10376201

SCHEMBL10376201

C=CCOC(=O)c1ccc(NC2=NCCN2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.64
ADRA2A P08913 11/20 0.61
ADRA2B P18089 10/20 0.61
ADRA2C P18825 10/20 0.61
PRSS1 P07477 2/20 0.51
F12 P00748 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
SNCA P37840 1/20 0.48
F2 P00734 1/20 0.47
C1R P00736 1/20 0.47
F10 P00742 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
GPR65 Q8IYL9 1/20 0.46

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
SCHEMBL5803299 0.78 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL3903056 0.77 PTGIR (0.74) PTGIRADRA2AADRA2BADRA2CPRSS1
SCHEMBL1643957 0.76 MEN1 (0.56) SNCA
SCHEMBL25605204 0.76 ADRA2A (0.75) PTGIRADRA2AADRA2BADRA2CPRSS1
SCHEMBL8953899 0.76 ADRA2A (0.79) PTGIRADRA2AADRA2BADRA2C
SCHEMBL7588328 0.75 ADRA2A (0.64) PTGIRADRA2AADRA2BADRA2CPRSS1
SCHEMBL27275424 0.74 ADRA2A (0.77) PTGIRADRA2AADRA2BADRA2CPRSS1
Hydrochloric Acid SCHEMBL7601691 0.74 ADRA2A (0.77) PTGIRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3899129 0.74 ADRA2A (0.77) PTGIRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7601687 0.73 ADRA2A (0.75) PTGIRADRA2AADRA2BADRA2CPRSS1

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-0236646-B1 ORTHO-ANISAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATIONS Laboratoires DELAGRANGE, Société Anonyme (FR) 1990-10-10 EP claimed