SCHEMBL8900313

SCHEMBL8900313

CCCN1C(C)CC2c3ccccc3CCC21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.67
SIGMAR1 Q99720 5/20 0.50
SRD5A1 P18405 3/20 0.49
DRD2 P14416 1/20 0.46

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 SCHEMBL8900308 0.99 HTR1A (0.65) HTR1ASIGMAR1SRD5A1DRD2
Hydrochloric Acid SCHEMBL8900706 0.79 HTR1A (0.98) HTR1A
SCHEMBL8900178 0.78 HTR1A (1.00) HTR1ADRD2
Hydrochloric Acid SCHEMBL8901004 0.77 HTR1A (0.98) HTR1ADRD2
SCHEMBL5945877 0.76 HTR1A (0.84) HTR1ADRD2
SCHEMBL5945883 0.76 HTR1A (0.84) HTR1ADRD2
SCHEMBL5945879 0.76 HTR1A (0.84) HTR1ADRD2
SCHEMBL8812201 0.75 HTR1A (0.65) HTR1A
SCHEMBL7799982 0.70 SRD5A1 (0.65) HTR1ASIGMAR1SRD5A1
SCHEMBL15887271 0.69 HTR1A (0.66) HTR1ASIGMAR1SRD5A1

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