SCHEMBL13683094

SCHEMBL13683094

CC(C)n1nc2c(c1-c1ncccn1)CNCC2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.54
HTR2C P28335 16/20 0.54
HTR2B P41595 16/20 0.54
HTR7 P34969 1/20 0.49
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13184325 0.85 HTR2A (0.57) HTR2AHTR2CHTR2BHTR7
SCHEMBL14043930 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BHTR7
SCHEMBL13683092 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BHTR7
SCHEMBL14044158 0.77 HTR2A (0.53) HTR2AHTR2CHTR2BHTR7
SCHEMBL2074027 0.76 HTR2A (0.83) HTR2AHTR2CHTR2BHTR7
SCHEMBL1475754 0.70 HTR2C (1.00) HTR2AHTR2CHTR2BHTR7
SCHEMBL2075780 0.69 HTR2C (0.82) HTR2AHTR2CHTR2BHTR7
SCHEMBL14693988 0.69 HTR2A (0.53) HTR2AHTR2CHTR2BHTR7
SCHEMBL1476540 0.68 HTR2C (0.70) HTR2AHTR2CHTR2BHTR7
SCHEMBL1475390 0.67 HTR2A (0.74) HTR2AHTR2CHTR2BHTR7

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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed