SCHEMBL7982386

SCHEMBL7982386

COc1ccccc1N1CCN(CCC(O)c2csc3ccc(Cl)cc23)CC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.80
HTR1D P28221 1/20 0.79
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61

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 SCHEMBL7988651 0.99 HTR1A (0.79) HTR1AHTR1DMAPTTHRB
SCHEMBL7982396 0.90 HTR1A (0.81) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6598544 0.90 HTR1A (0.80) HTR1AHTR1D
Hydrochloric Acid SCHEMBL7985771 0.89 HTR1A (0.80) HTR1AHTR1D
SCHEMBL6597327 0.88 HTR1A (1.00) HTR1AHTR1D
SCHEMBL29708061 0.88 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6597947 0.84 HTR1A (0.70) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6598402 0.81 HTR1A (0.98) HTR1AHTR1D
SCHEMBL7980969 0.80 HTR1A (0.80) HTR1AHTR1DMAPTTHRB
Hydrochloric Acid SCHEMBL7985977 0.79 HTR1A (0.79) HTR1AHTR1DMAPTTHRB

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
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US claimed
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US disclosed