SCHEMBL7980969

SCHEMBL7980969

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

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.80
HTR1D P28221 1/20 0.79
MAPT P10636 2/20 0.63
THRB P10828 1/20 0.63
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
CACNA1G O43497 1/20 0.54

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 SCHEMBL7985977 0.99 HTR1A (0.79) HTR1AHTR1DMAPTTHRBALDH1A1
SCHEMBL7988761 0.96 HTR1A (0.74) HTR1AHTR1DMAPTTHRBALDH1A1
SCHEMBL7988547 0.90 HTR1A (0.81) HTR1AHTR1DMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL6598470 0.89 HTR1A (0.79) HTR1AHTR1DMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL7983291 0.89 HTR1A (0.80) HTR1AHTR1DMAPTALDH1A1HTT
SCHEMBL6597325 0.88 HTR1A (1.00) HTR1AHTR1DMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL6598515 0.88 HTR1A (0.78) HTR1AHTR1DMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL6598512 0.88 HTR1A (0.98) HTR1AHTR1DMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL6598609 0.85 HTR1A (0.73) HTR1AHTR1DMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL6600035 0.81 HTR1A (0.98) HTR1AHTR1DMAPTALDH1A1HTT

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