SCHEMBL9536375

SCHEMBL9536375

COc1ccc2[nH]cc3c2c1CC(N(CCCNS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1)C3

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
HTR1A P08908 2/20 0.42
DRD4 P21917 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL9776435 0.88 HTR1D (0.44) DRD2HTR1AHTR1DHTR1BMTNR1A
SCHEMBL9534389 0.80 HTR1D (0.46) DRD2HTR1AHTR1DHTR1BMTNR1A
SCHEMBL10340261 0.80 MTNR1A (0.49) DRD2HTR1AHTR1DHTR1BMTNR1A
SCHEMBL9534218 0.79 MTNR1A (0.52) DRD2HTR1ADRD4ADRA1DADRA1A
Hydrochloric Acid SCHEMBL9776624 0.78 MTNR1A (0.51) DRD2HTR1ADRD4ADRA1DADRA1A
SCHEMBL9534913 0.77 HTR1A (0.50) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9776420 0.76 HTR1A (0.53) HTR1AHTR1DHTR1BMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9776382 0.76 HTR1A (0.49) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9535224 0.76 HTR1D (0.45) DRD2HTR1AHTR1DHTR1BMTNR1A
SCHEMBL11021107 0.71 HTR1A (0.56) HTR1AHTR1DHTR1BMTNR1AMTNR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332968-B1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1993-06-02 EP disclosed
US-5021438-A Having affinity for 5-hydroxytryptamine receptors; treating central nervous system and cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0332968-A1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1989-09-20 EP disclosed