SCHEMBL901372

SCHEMBL901372

O=C(c1ncccn1)c1cc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
HSD17B1 P14061 1/20 0.41
DYRK1A Q13627 2/20 0.40
KMO O15229 1/20 0.40
MGLL Q99685 1/20 0.39
SLC40A1 Q9NP59 2/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.38
SCN4A P35499 1/20 0.38
PPARA Q07869 1/20 0.38
CSNK1D P48730 3/20 0.38
NFKBIA P25963 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
ACP1 P24666 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL120469 0.78 BCL2L1 (0.54) CHRNA7DYRK1AMGLLEPHX2SCN4A
SCHEMBL31262807 0.78 BCL2L1 (0.54) CHRNA7DYRK1AMGLLEPHX2SCN4A
SCHEMBL30456961 0.77 DYRK1A (0.50) CHRNA7DYRK1AMGLLEPHX2SCN4A
SCHEMBL147472 0.77 CHRNA7 (0.48) CHRNA7HSD17B1DYRK1AMGLLEPHX2
SCHEMBL3884650 0.74 MEN1 (0.53) CHRNA7POLB
SCHEMBL4654119 0.73 HDAC1 (0.52) CHRNA7DYRK1APPARACSNK1DPKM
SCHEMBL21361764 0.71 CHRNA7 (0.46) CHRNA7DYRK1AMGLLEPHX2SCN4A
SCHEMBL3613052 0.70 PTPN2 (0.55) CHRNA7LMNACSNK1D
SCHEMBL695200 0.70 MGLL (0.48) CHRNA7MGLLNAMPT
SCHEMBL3607907 0.69 CLK1 (0.56) CHRNA7HSD17B1DYRK1AMGLLLMNA

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-2621918-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
WO-2012044613-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 WO disclosed