SCHEMBL7910972

SCHEMBL7910972

Bc1cccc2c1CCC(N)(CCO)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL7917940 0.88 S1PR1 (0.35) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL7923890 0.88 S1PR1 (0.35) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL7913143 0.83 HTR1A (0.33) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL7910996 0.82 HTR1A (0.33) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL7916677 0.75 CYP11B1 (0.34)
SCHEMBL7917935 0.70 S1PR1 (0.40) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL7923410 0.70 CARM1 (0.33) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL7920196 0.70 CARM1 (0.33) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL7924279 0.68 MTNR1A (0.32)
SCHEMBL12203772 0.68 CARM1 (0.32) HTR1AHTR1BHTR2AHTR2CHTR7

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
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed