SCHEMBL8900178

SCHEMBL8900178

CCCN1C(C)CC2c3c(cccc3OC)CCC21

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 5/20 0.60

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
Hydrochloric Acid SCHEMBL8901004 0.99 HTR1A (0.98) HTR1ADRD2
Hydrochloric Acid SCHEMBL8900706 0.82 HTR1A (0.98) HTR1A
SCHEMBL8810279 0.81 HTR1A (1.00) HTR1ADRD2
SCHEMBL8810282 0.81 HTR1A (1.00) HTR1ADRD2
Hydrochloric Acid SCHEMBL8899827 0.80 HTR1A (0.98) HTR1ADRD2
Hydrochloric Acid SCHEMBL8899835 0.80 HTR1A (0.98) HTR1ADRD2
SCHEMBL8900313 0.78 HTR1A (0.67) HTR1ADRD2
Hydrochloric Acid SCHEMBL8901588 0.78 HTR1A (0.97) HTR1ADRD2
SCHEMBL8812201 0.77 HTR1A (0.65) HTR1A
Hydrochloric Acid SCHEMBL8900308 0.77 HTR1A (0.65) 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