SCHEMBL9537025

SCHEMBL9537025

COc1ccc2[nH]cc3c2c1CC(NCCS(=O)(=O)N(C)C)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
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 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
SCHEMBL9532979 0.82 MTNR1A (0.64) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9537304 0.82 MTNR1A (0.58) MTNR1AMTNR1BHTR1DHTR1B
Hydrochloric Acid SCHEMBL9776461 0.81 MTNR1A (0.57) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL10340388 0.80 MTNR1A (0.67) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9534014 0.77 HTR1A (0.56) MTNR1AMTNR1BHTR1DHTR1B
Hydrochloric Acid SCHEMBL9532136 0.77 MTNR1A (0.48) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9534218 0.76 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL11022976 0.76 MTNR1A (0.61) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL11036691 0.76 MTNR1A (0.71) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9776624 0.76 MTNR1A (0.51) MTNR1AMTNR1B

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