SCHEMBL2581268

SCHEMBL2581268

CC(C)(C)c1nc(-c2cncc(C(=O)NCCC3CC3)n2)cn1CC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
CNR2 P34972 10/20 0.37
CNR1 P21554 2/20 0.35
NAMPT P43490 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
SCD O00767 1/20 0.33
DGAT1 O75907 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
SCHEMBL2571794 0.88 CNR2 (0.36) BRD4CNR2CNR1SCN10A
SCHEMBL2578712 0.86 CNR2 (0.38) BRD4CNR2CNR1
SCHEMBL2566394 0.83 CNR2 (0.37) BRD4CNR2CNR1
SCHEMBL2581266 0.82 CNR2 (0.37) CNR2CNR1
SCHEMBL2571231 0.81 CNR2 (0.37) BRD4CNR2CNR1
SCHEMBL2567727 0.81 CNR2 (0.37) BRD4CNR2CNR1
SCHEMBL2570666 0.81 CNR2 (0.36) CNR2CNR1
Hydrochloric Acid SCHEMBL2570499 0.80 CNR2 (0.37) BRD4CNR2CNR1
SCHEMBL2568547 0.80 CNR2 (0.37) CNR2CNR1
SCHEMBL2571965 0.79 CNR2 (0.36) CNR2CNR1

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-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP disclosed