SCHEMBL14449014

SCHEMBL14449014

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.45
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33

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 SCHEMBL1730405 0.99 F2R (0.45) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL14449185 0.96 F2R (0.44) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729002 0.96 F2R (0.44) F2RKDM4EMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL1730794 0.95 F2R (0.45) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1731536 0.94 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5488892 0.94 F2R (0.44) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1731966 0.93 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730916 0.93 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5489639 0.93 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL14449104 0.93 F2R (0.41) 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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed