SCHEMBL1730385

SCHEMBL1730385

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N(CC)CCO)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.68
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
CYP3A4 P08684 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
SCHEMBL1730387 1.00 F2R (0.68) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731034 0.99 F2R (0.68) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1728959 0.99 F2R (0.68) F2R
Bromide SCHEMBL1731792 0.95 F2R (0.71) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449196 0.94 F2R (0.65) F2R
SCHEMBL12151774 0.93 F2R (0.67) F2R
Hydrochloric Acid SCHEMBL1730886 0.93 F2R (0.66) F2R
SCHEMBL14449190 0.92 F2R (0.68) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732397 0.92 F2R (0.57) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1728865 0.91 F2R (0.69) F2RKDM4ENPC1MAPTRAB9A

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-1614680-A2 Process for preparing 2-iminopyrrolidine derivatives Eisai Co., Ltd. (JP) 2006-01-11 EP disclosed