SCHEMBL1732238

SCHEMBL1732238

CCOc1c(C(=O)O)cc(C(=O)CN2Cc3ccc(CC)nc3C2=N)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 16/20 0.44
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
PDE5A O76074 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 SCHEMBL5488898 0.99 F2R (0.44) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1731389 0.93 F2R (0.39) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1729844 0.91 F2R (0.43) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL5484959 0.90 F2R (0.41) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1731794 0.89 F2R (0.37) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1731367 0.88 F2R (0.37) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL5486721 0.86 F2R (0.39) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1729677 0.86 F2R (0.46) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1731374 0.84 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL14449085 0.84 F2R (0.43) F2RKDM4EMAPTRAB9ASMN1; SMN2

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