SCHEMBL8900642

SCHEMBL8900642

C=CCN1CC[C@@H]2Cc3c(cccc3OC)C[C@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 1.00
DRD2 P14416 6/20 0.70

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
SCHEMBL8900648 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL8900438 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL8900435 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL8900645 1.00 HTR1A (1.00) HTR1ADRD2
Hydrochloric Acid SCHEMBL8900060 0.99 HTR1A (0.98) HTR1ADRD2
Hydrochloric Acid SCHEMBL8900052 0.99 HTR1A (0.98) HTR1ADRD2
Hydrochloric Acid SCHEMBL8900877 0.99 HTR1A (0.98) HTR1ADRD2
Hydrochloric Acid SCHEMBL8900872 0.99 HTR1A (0.98) HTR1ADRD2
SCHEMBL8901881 0.95 HTR1A (1.00) HTR1ADRD2
SCHEMBL8901029 0.95 HTR1A (1.00) 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 1 patent. 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 claimed