SCHEMBL8945201

SCHEMBL8945201

CCCc1cc(Cc2ccccc2C2(CCC)CCCCC2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.33
HDAC4 P56524 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CETP P11597 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
FFAR1 O14842 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL8945020 0.92 HDAC4 (0.38) SLC6A4HDAC4SLC6A2SLC6A3CETP
SCHEMBL8945516 0.87 SKP2 (0.40) SLC6A4HDAC4SLC6A2SLC6A3CETP
SCHEMBL8944994 0.87 HDAC4 (0.34) HDAC4
SCHEMBL8945287 0.86 SLC6A4 (0.36) SLC6A4HDAC4SLC6A2SLC6A3S1PR1
SCHEMBL8578668 0.83 SLC6A4 (0.37) SLC6A4HDAC4SLC6A2SLC6A3CETP
SCHEMBL16593853 0.81 HDAC4 (0.39) SLC6A4HDAC4SLC6A2SLC6A3CETP
SCHEMBL8945489 0.81 SKP2 (0.44) SLC6A4HDAC4CETPFFAR1CNR1
SCHEMBL8945342 0.80 SKP2 (0.43) SLC6A4HDAC4SLC6A2SLC6A3CETP
SCHEMBL8945573 0.79 SKP2 (0.42) SLC6A4HDAC4SLC6A2SLC6A3CETP
SCHEMBL8944988 0.79 SKP2 (0.42) SLC6A4HDAC4SLC6A2SLC6A3CETP

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-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed