SCHEMBL9535224

SCHEMBL9535224

COc1ccc2[nH]cc3c2c1CC(N(CCC#N)Cc1ccccc1)C3

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.45
HTR1B P28222 6/20 0.45
DRD2 P14416 3/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL10340261 0.89 MTNR1A (0.49) HTR1DHTR1BDRD2MTNR1AMTNR1B
SCHEMBL9534389 0.86 HTR1D (0.46) HTR1DHTR1BDRD2MTNR1AMTNR1B
SCHEMBL9776435 0.81 HTR1D (0.44) HTR1DHTR1BDRD2MTNR1AMTNR1B
SCHEMBL9534053 0.79 HTR1A (0.54) HTR1DHTR1BMTNR1AMTNR1BHTR1A
SCHEMBL6890172 0.77 HTR1A (0.65) HTR1DHTR1BMTNR1AMTNR1BHTR1A
SCHEMBL11019525 0.77 MTNR1A (0.54) HTR1DHTR1BDRD2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7716614 0.76 HTR1A (0.64) HTR1DHTR1BMTNR1AMTNR1BHTR1A
SCHEMBL9536375 0.76 DRD2 (0.42) HTR1DHTR1BDRD2MTNR1AMTNR1B
SCHEMBL11021107 0.75 HTR1A (0.56) HTR1DHTR1BMTNR1AMTNR1BHTR1A
SCHEMBL10340387 0.74 HTR1A (0.60) HTR1DHTR1BMTNR1AMTNR1BHTR1A

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