SCHEMBL8675781

SCHEMBL8675781

C=CCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00

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
SCHEMBL8675783 1.00 HTR1A (1.00) HTR1A
SCHEMBL8672354 1.00 HTR1A (1.00) HTR1A
SCHEMBL8672351 1.00 HTR1A (1.00) HTR1A
Hydrochloric Acid SCHEMBL7935369 0.99 HTR1A (0.98) HTR1A
Hydrochloric Acid SCHEMBL7935391 0.99 HTR1A (0.98) HTR1A
SCHEMBL8672064 0.89 HTR1A (1.00) HTR1A
SCHEMBL8675884 0.89 HTR1A (1.00) HTR1A
SCHEMBL8671073 0.89 HTR1A (1.00) HTR1A
Hydrochloric Acid SCHEMBL7926403 0.88 HTR1A (0.98) HTR1A
SCHEMBL8675801 0.88 HTR1A (1.00) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2785879-B2 1998-08-13 JP claimed
EP-0476016-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1992-03-25 EP claimed
WO-1990015047-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1990-12-13 WO claimed
EP-0482084-B1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES UPJOHN CO (US) 1997-05-07 EP disclosed