SCHEMBL6544593

SCHEMBL6544593

CCOc1cc2c(nc1C(=O)NC)C(=N)N(CC(=O)c1cc[c]c(C(C)(C)C)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.36
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL1731009 0.89 F2R (0.40) F2RMAPTLMNA
SCHEMBL1732187 0.85 F2R (0.36) F2R
Bromide SCHEMBL1730884 0.85 F2R (0.37) F2RMAPTLMNAKDM4ENPC1
SCHEMBL6544035 0.84 F2R (0.37) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL14449076 0.83 F2R (0.44) F2R
Hydrochloric Acid SCHEMBL1730414 0.83 F2R (0.44) F2R
Hydrochloric Acid SCHEMBL1731567 0.82 F2R (0.42) F2RMAPTLMNAKDM4ENPC1
Bromide SCHEMBL1731332 0.82 F2R (0.40) F2RMAPTLMNAKDM4ENPC1
Hydrochloric Acid SCHEMBL5481374 0.82 F2R (0.39) F2RMAPTLMNA
SCHEMBL14449150 0.81 F2R (0.39) F2RMAPTLMNAKDM4ENPC1

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