SCHEMBL6544807

SCHEMBL6544807

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc[c]c(C(C)(C)C)c1)C2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.59
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
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
SCHEMBL1732640 0.88 F2R (0.62) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL6544923 0.88 F2R (0.51) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1729286 0.83 F2R (0.65) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1732738 0.83 F2R (0.60) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1732960 0.83 F2R (0.59) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730193 0.83 F2R (0.66) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL28740924 0.82 F2R (0.70) F2R
SCHEMBL6544433 0.82 F2R (0.64) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730905 0.82 F2R (0.62) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1728973 0.81 F2R (0.71) F2RKDM4EMAPTRAB9ANPC1

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