SCHEMBL6544912

SCHEMBL6544912

CNC(=O)c1cc2c(cc1N(C)C)CN(CC(=O)c1cc(N3CCC(O)C3)c(OC)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.52
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ABL1 P00519 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 SCHEMBL1733316 0.99 F2R (0.53) F2RKDM4ENPC1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL5486474 0.96 F2R (0.50) F2RABL1
Bromide SCHEMBL1731685 0.95 F2R (0.57) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731714 0.91 F2R (0.46) F2R
Bromide SCHEMBL1731426 0.91 F2R (0.47) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732545 0.90 F2R (0.50) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL6544951 0.90 F2R (0.48) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1728726 0.89 F2R (0.48) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1730681 0.89 F2R (0.47) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL5486476 0.89 F2R (0.45) 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