SCHEMBL8536408

SCHEMBL8536408

CN1C2C=C(c3cccc([N+](=O)[O-])c3)CC1CC2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.64
SLC6A4 P31645 6/20 0.64
SLC6A3 Q01959 6/20 0.64
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL8536405 1.00 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3LMNATSHR
SCHEMBL7215838 0.93 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3LMNAKDM4E
SCHEMBL521277 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL1023136 0.78 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3
SCHEMBL1023137 0.78 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3
SCHEMBL6492534 0.78 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1022136 0.76 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL12723073 0.76 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL11988479 0.75 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL1122233 0.74 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3

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-0819126-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-01-21 EP disclosed
WO-1996031508-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-10-10 WO disclosed