SCHEMBL8970487

SCHEMBL8970487

COc1cccc2c1C=C(C[N+](=O)[O-])CC2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.37
BCHE P06276 10/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6957840 0.76 RXRB (0.41) ACHEBCHEALDH1A1TDP1
SCHEMBL8097787 0.72 TSHR (0.40) ACHEBCHEALDH1A1TDP1
SCHEMBL7077835 0.71 ACHE (0.38) ACHEBCHE
SCHEMBL7056142 0.68 HTR2A (0.40) ACHEBCHE
SCHEMBL12668863 0.68 ACHE (0.40) ACHEBCHE
SCHEMBL22568907 0.67 ACHE (0.49) ACHEBCHE
SCHEMBL6952658 0.67 ADRA2A (0.40) ACHEBCHE
SCHEMBL12635266 0.67 CA12 (0.45) ACHEBCHEALDH1A1
SCHEMBL9361563 0.66 ACHE (0.46) ACHEBCHE
SCHEMBL11801209 0.65 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed