SCHEMBL6544839

SCHEMBL6544839

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 16/20 0.58
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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 SCHEMBL1728860 0.99 F2R (0.59) F2RIRAK4KDM4ENPC1MAPT
SCHEMBL14468955 0.91 F2R (0.51) F2RIRAK4
Bromide SCHEMBL1732001 0.91 F2R (0.51) F2RIRAK4
Bromide SCHEMBL1729420 0.91 F2R (0.70) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731526 0.91 F2R (0.61) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449151 0.90 F2R (0.59) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730044 0.90 F2R (0.49) F2RIRAK4
Bromide SCHEMBL1730396 0.90 F2R (0.60) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1732220 0.89 F2R (0.69) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731207 0.89 F2R (0.59) 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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed