SCHEMBL1731522

SCHEMBL1731522

CN(C)c1cc2c(cc1C(=O)O)C(=N)N(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCN3CC#N)C2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.39
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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 SCHEMBL1731876 0.91 F2R (0.39) F2R
Trifluoroacetic Acid SCHEMBL1728671 0.90 F2R (0.37) F2R
Bromide SCHEMBL1732250 0.84 F2R (0.36) F2R
Bromide SCHEMBL1729257 0.81 F2R (0.37) F2RKDM4EMAPTRAB9A
Bromide SCHEMBL1732473 0.81 F2R (0.35) F2R
Bromide SCHEMBL1729969 0.81 F2R (0.36) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL5483964 0.80 F2R (0.34) F2R
SCHEMBL14449138 0.79 F2R (0.32) F2R
SCHEMBL14468883 0.79 F2R (0.32) F2R
Trifluoroacetic Acid SCHEMBL1730316 0.79 F2R (0.47) F2R

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