SCHEMBL8991861

SCHEMBL8991861

COc1ccccc1N1CCN(CCCC(=O)c2cc3c(s2)SCCNC3=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.54
DRD4 P21917 2/20 0.53
DRD2 P14416 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL8917105 0.74 DRD2 (0.54) HTR1ADRD4DRD2ALDH1A1POLB
Hydrochloric Acid SCHEMBL8917302 0.73 ALDH1A1 (0.52) HTR1ADRD4DRD2ALDH1A1POLB
SCHEMBL3188003 0.71 ALDH1A1 (0.71) HTR1ADRD4DRD2ALDH1A1POLB
SCHEMBL1491175 0.71 HTR1A (0.71) HTR1ADRD4DRD2ALDH1A1POLB
Hydrochloric Acid SCHEMBL6601969 0.70 HTR1A (0.98) HTR1ADRD4DRD2ALDH1A1DRD3
Hydrochloric Acid SCHEMBL3196115 0.70 HTR1A (0.71) HTR1ADRD4DRD2ALDH1A1POLB
SCHEMBL9037998 0.70 DRD3 (0.61) HTR1ADRD4DRD2ALDH1A1HTR7
SCHEMBL8916897 0.70 HTR1A (0.59) HTR1ADRD4DRD2ALDH1A1POLB
Fluanisone SCHEMBL145054 0.70 ALDH1A1 (1.00) HTR1ADRD4DRD2ALDH1A1POLB
Oxalic Acid SCHEMBL9042871 0.70 DRD3 (0.59) HTR1ADRD4DRD2ALDH1A1HTR7

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-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed