SCHEMBL6544585

SCHEMBL6544585

CCOc1c(C)nc2c(c1C)CN(CC(=O)c1ccc([O])c(C(C)(C)C)c1)C2=N

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.38
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PDE5A O76074 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 SCHEMBL1731229 0.90 F2R (0.39) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449071 0.88 F2R (0.41) F2R
Hydrochloric Acid SCHEMBL1730808 0.88 F2R (0.41) F2R
Bromide SCHEMBL1729039 0.88 F2R (0.41) F2R
Bromide SCHEMBL5490223 0.88 F2R (0.40) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729409 0.87 F2R (0.39) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730579 0.87 F2R (0.42) F2RNPC1MAPTRAB9A
Bromide SCHEMBL1730730 0.85 F2R (0.36) F2RNPC1
Bromide SCHEMBL1729928 0.85 F2R (0.38) F2R
Bromide SCHEMBL1730960 0.85 F2R (0.40) 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