SCHEMBL3348739

SCHEMBL3348739

O=C1CCc2ccccc2C1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
RET P07949 1/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ANPEP P15144 2/20 0.38
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CES1 P23141 1/20 0.35
CYP2A6 P11509 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SRD5A1 P18405 1/20 0.33
IDO1 P14902 1/20 0.33
PDPK1 O15530 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
SCHEMBL6112757 0.90 KDM4E (0.40) MEN1KMT2AANPEPALDH1A1KDM4E
SCHEMBL28454918 0.77 HTR2A (0.48) HTR2AANPEPHTR2C
SCHEMBL9385590 0.72 ACP3 (0.48) ACP3RETHTR2AANPEPCES1
SCHEMBL29037871 0.72 MAOA (0.39) HTR2AANPEPRAB9AGAAALDH1A1
SCHEMBL30150914 0.72 IDO1 (0.44) ACP3MEN1KMT2ARAB9AALDH1A1
SCHEMBL2115194 0.72 IDO1 (0.44) ACP3MEN1KMT2ARAB9AALDH1A1
SCHEMBL28769170 0.71 MAOA (0.38) HTR2AANPEPRAB9AGAAALDH1A1
SCHEMBL8901794 0.71 ACP3 (0.47) ACP3RETHTR2AANPEPCES1
SCHEMBL7124003 0.71 ACP3 (0.47) ACP3RETHTR2AANPEPCES1
SCHEMBL948086 0.69 ACP3 (0.46) ACP3RETHTR2AANPEPCES1

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
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed