SCHEMBL8917894

SCHEMBL8917894

CC(C)(C)OC(=O)c1ccnc(N2CCNCC2)c1N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
EPHX2 P34913 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR6 P50406 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL8915788 0.84 HTR2C (0.40) HTR2CEPHX2HRH3
SCHEMBL4826186 0.83 PRKCQ (0.41) HRH4HRH3ADRA1AADRA1B
SCHEMBL8916060 0.81 PRKD1 (0.40) HTR2CEPHX2HRH4HRH3ADRA1A
SCHEMBL27786900 0.80 ALDH1A1 (0.39) HTR2CEPHX2
SCHEMBL8916801 0.77 ATR (0.37) HTR2CEPHX2HRH4HRH3ADRA1A
SCHEMBL8916074 0.77 HRH4 (0.39) HTR2CEPHX2HRH4HRH3ADRA1A
SCHEMBL8916435 0.76 ATR (0.36) HTR2CEPHX2HRH4ADRA1AADRA1B
SCHEMBL8915723 0.76 ATR (0.36) HTR2CHRH4HRH3ADRA1AADRA1B
SCHEMBL4738517 0.72 ADRA1A (0.36) HRH4ADRA1AADRA1B
SCHEMBL8219392 0.71 ADRB1 (0.49) ADRA1AADRA1BHTR6

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