SCHEMBL6545009

SCHEMBL6545009

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCOC3=O)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.54
TYK2 P29597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 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 SCHEMBL1730338 0.99 F2R (0.54) F2RTYK2KDM4ENPC1MAPT
SCHEMBL14468891 0.91 F2R (0.47) F2RTYK2LMNA
Bromide SCHEMBL1732211 0.89 F2R (0.53) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449142 0.88 F2R (0.69) F2RKDM4EMAPTLMNA
Bromide SCHEMBL1731462 0.88 F2R (0.52) F2RTYK2KDM4ENPC1MAPT
Bromide SCHEMBL1729157 0.88 F2R (0.69) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449151 0.87 F2R (0.59) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730396 0.87 F2R (0.60) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449120 0.86 F2R (0.53) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729568 0.86 F2R (0.58) 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