SCHEMBL3727796

SCHEMBL3727796

CC(CN)c1cnn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
IDO1 P14902 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
FGFR1 P11362 3/20 0.32
FGFR2 P21802 3/20 0.32
FGFR4 P22455 3/20 0.32
FGFR3 P22607 3/20 0.32
KDR P35968 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
P2RX7 Q99572 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
SCHEMBL15304182 0.82 ALDH1A1 (0.36) HRH3GRNSORT1IDO1ALDH1A1
SCHEMBL24919732 0.82 ALDH1A1 (0.36) HRH3GRNSORT1IDO1ALDH1A1
SCHEMBL17327337 0.80 IDO1 (0.43) TAAR1IDO1ALDH1A1HTTSMN1; SMN2
SCHEMBL16447921 0.80 IDO1 (0.32) IDO1LOXL2ALDH1A1HTTSMN1; SMN2
SCHEMBL20122134 0.80 GRN (0.33) HRH3GRNSORT1IDO1ALDH1A1
SCHEMBL26928487 0.80 GRN (0.36) HRH3GRNSORT1IDO1ALDH1A1
SCHEMBL22604954 0.78 TAAR1 (0.41) TAAR1HRH3HRH4
SCHEMBL22601334 0.78 ACHE (0.33) HRH3GRNSORT1IDO1ALDH1A1
SCHEMBL22838143 0.77 TAAR1 (0.44) TAAR1GRNSORT1ALDH1A1HTT
SCHEMBL28802900 0.77

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
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed