SCHEMBL9534218

SCHEMBL9534218

COc1ccc2[nH]cc3c2c1CC(NCCCNS(=O)(=O)c1ccc(F)cc1)C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
HTR1A P08908 5/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.40
HTR2A P28223 3/20 0.38
HTR7 P34969 3/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 1/20 0.37
HTR2B P41595 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
Hydrochloric Acid SCHEMBL9776624 0.99 MTNR1A (0.51) MTNR1AMTNR1BHTR1ADRD2DRD4
SCHEMBL9537304 0.86 MTNR1A (0.58) MTNR1AMTNR1BHTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL9776461 0.85 MTNR1A (0.57) MTNR1AMTNR1BHTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL9532136 0.84 MTNR1A (0.48) MTNR1AMTNR1BHTR1ADRD2DRD4
SCHEMBL9536375 0.79 DRD2 (0.42) MTNR1AMTNR1BHTR1ADRD2DRD4
SCHEMBL9532979 0.77 MTNR1A (0.64) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL9537025 0.76 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL10340388 0.75 MTNR1A (0.67) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL9532235 0.75 MTNR1A (0.53) MTNR1AMTNR1BHTR1ADRD2DRD3
SCHEMBL9533770 0.75 DRD2 (0.53) MTNR1AMTNR1BHTR1ADRD2DRD4

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