SCHEMBL8901537

SCHEMBL8901537

C=CCN1C(=O)C[C@H]2c3cccc(OC)c3CC[C@@H]21

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.64
DRD2 P14416 9/20 0.64

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
SCHEMBL8901899 1.00 HTR1A (0.64) HTR1ADRD2
SCHEMBL8901535 1.00 HTR1A (0.64) HTR1ADRD2
SCHEMBL8901539 1.00 HTR1A (0.64) HTR1ADRD2
SCHEMBL8902000 0.85 HTR1A (0.67) HTR1ADRD2
SCHEMBL8902008 0.85 HTR1A (0.67) HTR1ADRD2
SCHEMBL9123328 0.84 HTR1A (0.63) HTR1ADRD2
SCHEMBL9123331 0.84 HTR1A (0.63) HTR1ADRD2
SCHEMBL9120268 0.81 HTR1A (0.51) HTR1ADRD2
SCHEMBL9120278 0.81 HTR1A (0.51) HTR1ADRD2
SCHEMBL9120179 0.81 HTR1A (0.56) HTR1ADRD2

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-0482084-B1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES UPJOHN CO (US) 1997-05-07 EP disclosed
US-5491236-A NERVOUS SYTEM DISORDERS THE UPJOHN COMPANY (US) 1996-02-13 US disclosed