SCHEMBL1729982

SCHEMBL1729982

CCOc1[c]c(C(C)(C)C)cc(C(=O)CN2Cc3ccc(C4CC4)nc3C2=N)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.38
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 1/20 0.31

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
SCHEMBL1729930 0.83 KDM4E (0.33) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730770 0.82 F2R (0.54) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1732635 0.81 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL14449091 0.80 F2R (0.41) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1732345 0.80 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730967 0.80 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1731009 0.79 F2R (0.40) F2RMAPT
Trifluoroacetic Acid SCHEMBL5490918 0.78 F2R (0.44) F2R
Bromide SCHEMBL1730628 0.78 F2R (0.45) F2R
Bromide SCHEMBL1732156 0.78 F2R (0.43) 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-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed