SCHEMBL28044646

SCHEMBL28044646

CCCCNc1cccc(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.47
F2R P25116 2/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC4 P56524 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45

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
SCHEMBL10990076 0.89 RAPGEF4 (0.50) RAPGEF4MAPTHTTCYP1A2CYP3A4
SCHEMBL18631859 0.87 HDAC4 (0.49) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL8667014 0.86 F2R (0.56) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL4663774 0.86 F2R (0.45) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL5004348 0.86 HTR7 (0.52) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL28848114 0.86 F2R (0.45) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL14368014 0.86 SIGMAR1 (0.48) RAPGEF4MAPTHTTCYP1A2CYP3A4
SCHEMBL13113859 0.83 MAPT (0.44) RAPGEF4MAPTHTTCYP1A2CYP3A4
SCHEMBL27705880 0.83 TLR8 (0.50) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL9827733 0.83 F2R (0.43) F2RMAPTHTTCYP1A2CYP3A4

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
CN-105189477-A Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof BASF SE 2015-12-23 CN disclosed