SCHEMBL6545044

SCHEMBL6545044

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCC(OCC(=O)O)CC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 16/20 0.57
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 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 SCHEMBL5486980 0.99 F2R (0.58) F2RKDM4ENPC1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL1731607 0.97 F2R (0.56) F2R
Bromide SCHEMBL5490390 0.96 F2R (0.55) F2RKDM4ENPC1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL1729719 0.93 F2R (0.53) F2R
Bromide SCHEMBL1731526 0.92 F2R (0.61) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1731608 0.91 F2R (0.55) F2R
Bromide SCHEMBL1730625 0.90 F2R (0.49) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731207 0.90 F2R (0.59) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729420 0.90 F2R (0.70) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732149 0.89 F2R (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed