SCHEMBL8915788

SCHEMBL8915788

CC(C)(C)OC(=O)c1ccnc(N2CCNCC2)c1N

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KIT P10721 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37

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
SCHEMBL8917894 0.84 HTR2C (0.38) HTR2CEPHX2HRH3
SCHEMBL4826186 0.84 PRKCQ (0.41) HRH3PRKCAPRKCQPRKCD
SCHEMBL27786900 0.82 ALDH1A1 (0.39) HTR2CEPHX2
SCHEMBL8916060 0.82 PRKD1 (0.40) HTR2CEPHX2HRH3
SCHEMBL8916074 0.80 HRH4 (0.39) HTR2CEPHX2HRH3
SCHEMBL8916801 0.80 ATR (0.37) HTR2CEPHX2HRH3
SCHEMBL8916435 0.79 ATR (0.36) HTR2CEPHX2
SCHEMBL8915723 0.78 ATR (0.36) HTR2CHRH3
SCHEMBL6261311 0.75 ATR (0.43)
SCHEMBL15415762 0.75 ALDH1A1 (0.35)

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
US-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed