SCHEMBL14700092

SCHEMBL14700092

O=C([C@H]1CCCN(c2c3c(nc4ccnn24)CCNCC3)C1)N1CCC(C2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.61
HTR2B P41595 17/20 0.61
HTR2A P28223 16/20 0.61
DGAT2 Q96PD7 2/20 0.39

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
SCHEMBL10216996 1.00 HTR2C (0.61) HTR2CHTR2BHTR2ADGAT2
SCHEMBL13329451 0.96 HTR2C (0.55) HTR2CHTR2BHTR2ADGAT2
SCHEMBL10217017 0.94 HTR2C (0.67) HTR2CHTR2BHTR2ADGAT2
SCHEMBL10216973 0.94 HTR2C (0.67) HTR2CHTR2BHTR2ADGAT2
SCHEMBL10217911 0.94 HTR2C (0.61) HTR2CHTR2BHTR2A
SCHEMBL10218114 0.89 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL14700109 0.89 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL10218106 0.89 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL10219403 0.89 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL10217833 0.89 HTR2C (0.59) HTR2CHTR2BHTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP disclosed