SCHEMBL1732039

SCHEMBL1732039

CC(C)c1cc(C(=O)CN2Cc3ccc(C4CC4)nc3C2=N)cc(N2CCC(OCC(=O)O)C2)c1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.31
HSD11B1 P28845 1/20 0.31
KHK P50053 1/20 0.30
FURIN P09958 1/20 0.30

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
Bromide SCHEMBL5487892 0.99 F2R (0.32) F2RHSD11B1
Bromide SCHEMBL1732071 0.89 F2R (0.32) F2RHSD11B1KHKFURIN
Bromide SCHEMBL1732180 0.89 F2R (0.39) F2RHSD11B1KHKFURIN
Hydrochloric Acid SCHEMBL5488278 0.89 F2R (0.37) F2RHSD11B1KHKFURIN
Trifluoroacetic Acid SCHEMBL1729408 0.86 F2R (0.37) F2RKHK
Bromide SCHEMBL1729980 0.86 KHK (0.32) HSD11B1KHKFURIN
Hydrochloric Acid SCHEMBL1731459 0.83 F2R (0.46) F2R
Trifluoroacetic Acid SCHEMBL1729482 0.81 F2R (0.46) F2RKHK
SCHEMBL1729411 0.81 F2R (0.40) F2RKHK
Bromide SCHEMBL1731605 0.81 F2R (0.40) F2RHSD11B1KHK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed