SCHEMBL8401199

SCHEMBL8401199

COc1ccc(-c2ncc(NC(=O)OCc3ccccc3)c(=O)n2OC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.59
TACR3 P29371 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL27451145 0.92 ELANE (0.55) ELANENPC1RAB9AMGLL
SCHEMBL27467025 0.91 ELANE (0.51) ELANENPC1RAB9A
SCHEMBL8401430 0.90 ELANE (0.59) ELANENPC1RAB9AMGLL
SCHEMBL8401403 0.90 ELANE (0.58) ELANENPC1RAB9A
SCHEMBL8401406 0.89 ELANE (0.50) ELANENPC1RAB9A
SCHEMBL8401266 0.86 ELANE (0.60) ELANENPC1RAB9A
SCHEMBL8405263 0.85 ELANE (0.58) ELANENPC1RAB9A
SCHEMBL27466074 0.84 ELANE (0.46) ELANENPC1RAB9A
SCHEMBL27467469 0.84 NPC1 (0.52) ELANENPC1RAB9AFAAHMGLL
SCHEMBL6556284 0.84 ELANE (0.71) ELANETACR3

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-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed