SCHEMBL7499484

SCHEMBL7499484

CCCN1CCC2Cc3c(cccc3OC)CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 1.00
DRD2 P14416 7/20 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
SCHEMBL7499479 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL8900432 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL7499477 1.00 HTR1A (1.00) HTR1ADRD2
Hydrochloric Acid SCHEMBL8899390 0.99 HTR1A (0.97) HTR1ADRD2
Hydrochloric Acid SCHEMBL8899386 0.99 HTR1A (0.97) HTR1ADRD2
Hydrochloric Acid SCHEMBL8899396 0.99 HTR1A (0.97) HTR1ADRD2
Hydrochloric Acid SCHEMBL8900488 0.99 HTR1A (0.97) HTR1ADRD2
SCHEMBL10756897 0.93 HTR1A (0.86) HTR1ADRD2
SCHEMBL10756886 0.93 HTR1A (0.86) HTR1ADRD2
SCHEMBL10756890 0.93 HTR1A (0.86) 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 claimed
WO-1992021654-A2 CARBOXAMIDO-(3,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-12-10 WO disclosed