SCHEMBL20141025

SCHEMBL20141025

c1cc2cn[nH]c2c(N2CCNCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.56
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
EPHX2 P34913 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR6 P50406 1/20 0.42

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
SCHEMBL20140658 0.80 ROCK2 (0.50) ROCK2ROCK1
SCHEMBL20140662 0.80 ROCK2 (0.50) ROCK2ROCK1
SCHEMBL31651868 0.77 HTR2C (0.56) HTR2CROCK2ROCK1EPHX2HTR6
SCHEMBL6637498 0.77 HTR2C (0.56) HTR2CROCK2ROCK1EPHX2HTR6
SCHEMBL3690677 0.74 HTR2C (0.69) HTR2CROCK2ROCK1HTR6
SCHEMBL3687371 0.73 HTR2C (0.68) HTR2CROCK2ROCK1
SCHEMBL13116668 0.72 HTR2C (0.56) HTR2CEPHX2
SCHEMBL3680133 0.72 HTR2C (0.67) HTR2CEPHX2
SCHEMBL2076366 0.72 HTR2C (1.00) HTR2CHTR6
SCHEMBL30040877 0.72 HTR2C (1.00) HTR2CHTR6

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed