SCHEMBL11523799

SCHEMBL11523799

CNC1C=Cc2cc([N+](=O)[O-])ccc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.41
PNMT P11086 6/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11592050 0.81 GRIN2B (0.41) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL8765980 0.80 GRIN2B (0.41) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL8765757 0.79 GRIN2B (0.63) GRIN2BALDH1A1MAPTCRHBPCRHR2
SCHEMBL12670596 0.73 GRIN2B (0.61) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL11591650 0.71 GRIN2B (0.40) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL3442079 0.70 CA9 (0.47) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL23195867 0.69 PNMT (0.42) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL23195881 0.69 PNMT (0.42) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL8766380 0.68 CA9 (0.44) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL7208524 0.67 PNMT (0.53) PNMTADRA2AADRA2BADRA2CMAPT

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
US-4154852-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1979-05-15 US disclosed