SCHEMBL9537304

SCHEMBL9537304

COc1ccc2[nH]cc3c2c1CC(NCCCNS(C)(=O)=O)C3

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.58
MTNR1B P49286 4/20 0.58
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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 SCHEMBL9776461 0.99 MTNR1A (0.57) MTNR1AMTNR1BHTR1DHTR1BHTR1A
SCHEMBL9534218 0.86 MTNR1A (0.52) MTNR1AMTNR1BHTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL9776624 0.85 MTNR1A (0.51) MTNR1AMTNR1BHTR1ADRD2DRD3
SCHEMBL9532979 0.82 MTNR1A (0.64) MTNR1AMTNR1BHTR1DHTR1BDRD2
SCHEMBL9537025 0.82 MTNR1A (0.58) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL10340388 0.80 MTNR1A (0.67) MTNR1AMTNR1BHTR1DHTR1BDRD2
SCHEMBL9532235 0.80 MTNR1A (0.53) MTNR1AMTNR1BHTR1DHTR1BHTR1A
SCHEMBL9776420 0.79 HTR1A (0.53) MTNR1AMTNR1BHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL9532136 0.77 MTNR1A (0.48) MTNR1AMTNR1BHTR1DHTR1BHTR1A
SCHEMBL9533189 0.77 HTR1A (0.55) MTNR1AMTNR1BHTR1DHTR1BHTR1A

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
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