SCHEMBL9303578

SCHEMBL9303578

O=C(O)Cc1cn2c3c(cccc13)CCC2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
MTNR1A P48039 7/20 0.60
MTNR1B P49286 7/20 0.60
MCL1 Q07820 2/20 0.45
ABCB1 P08183 1/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL2260014 0.88 HTR2A (0.65) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL12572732 0.86 HTR2A (0.60) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL1395857 0.84 MTNR1A (0.61) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL6327455 0.84 HTR2A (0.60) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL12312046 0.83 HTR2A (0.59) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL15024522 0.82 HTR2A (0.69) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL27977246 0.82 HTR2A (0.57) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL1395799 0.81 HTR2A (0.52) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL2345293 0.80 HTR2A (0.70) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL2020434 0.80 MTNR1A (0.59) HTR2AHTR2CMTNR1AMTNR1BMCL1

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
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed