SCHEMBL14700124

SCHEMBL14700124

Nc1c2c(nc3ccnn13)CCNCC2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.63
HTR2B P41595 17/20 0.63
HTR2A P28223 16/20 0.63
CHEK1 O14757 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
DPP4 P27487 1/20 0.35

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
SCHEMBL7843808 0.83 HTR2C (0.46) HTR2CHTR2BHTR2ACHEK1CCNA2
SCHEMBL2574952 0.82 HTR2C (0.63) HTR2CHTR2BHTR2A
SCHEMBL10216948 0.78 HTR2C (0.87) HTR2CHTR2BHTR2A
SCHEMBL10217159 0.77 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL10217173 0.77 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL2573130 0.77 HTR2C (0.61) HTR2CHTR2BHTR2ACHEK1CCNA2
SCHEMBL2573131 0.76 HTR2C (0.56) HTR2CHTR2BHTR2A
SCHEMBL10217162 0.76 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL10217177 0.76 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL9948356 0.76 HTR2C (0.83) 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