SCHEMBL8327612

SCHEMBL8327612

COc1ccc(N2CCC(C)(C)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.46
HSD11B1 P28845 3/20 0.45
ELANE P08246 1/20 0.45
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
MGLL Q99685 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
PGR P06401 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8791412 0.83 RAB9A (0.75) RAB9ASMN1; SMN2POLBHSD11B1ELANE
SCHEMBL12988528 0.82 POLB (0.45) RAB9ASMN1; SMN2POLBHSD11B1ELANE
SCHEMBL8305761 0.81 RAB9A (0.55) RAB9ASMN1; SMN2POLBELANEPKM
SCHEMBL5256770 0.79 RAB9A (0.53) RAB9ASMN1; SMN2POLBHSD11B1PKM
SCHEMBL22365579 0.79 MMP1 (0.40) RAB9APOLBHSD11B1ELANEPKM
SCHEMBL22365578 0.79 MMP1 (0.40) RAB9APOLBHSD11B1ELANEPKM
SCHEMBL22365621 0.79 MMP1 (0.48) RAB9AHSD11B1PKMNPC1MAPT
SCHEMBL22147809 0.79 MMP1 (0.48) RAB9AHSD11B1PKMNPC1MAPT
SCHEMBL6410939 0.79 HSD11B1 (0.53) RAB9ASMN1; SMN2HSD11B1NPC1MEN1
SCHEMBL22365581 0.78 LIPE (0.42) RAB9ASMN1; SMN2POLBHSD11B1ELANE

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-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed