SCHEMBL7557375

SCHEMBL7557375

[CH2]CCc1cccc(OCCCCC(=O)NC)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.55
CNR2 P34972 3/20 0.55
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HPGD P15428 2/20 0.48
PDK2 Q15119 1/20 0.47
CYP2D6 P10635 4/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC2 Q92769 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL7552344 0.84 FFAR1 (0.55) CNR1CNR2
SCHEMBL612170 0.84 CNR2 (0.56) CNR1CNR2HDAC1HDAC6HPGD
SCHEMBL27439136 0.83 CNR1 (0.61) CNR1CNR2HDAC1HDAC6HPGD
SCHEMBL19291537 0.82 HPGD (0.54) CNR1CNR2HDAC1HDAC6HPGD
SCHEMBL7552622 0.82 CYP2D6 (0.58) CNR1CNR2PDK2CYP2D6KCNH2
SCHEMBL2208515 0.82 CNR1 (0.52) CNR1CNR2HDAC1HDAC6HPGD
SCHEMBL29818817 0.82 CNR1 (0.52) CNR1CNR2HDAC1HDAC6HPGD
SCHEMBL7556540 0.80 FFAR1 (0.56) HPGD
SCHEMBL27996233 0.79 HPGD (0.60) CNR1CNR2HDAC1HDAC6HPGD
SCHEMBL13959276 0.79 FFAR1 (0.51) CNR1CNR2HDAC1HDAC6HPGD

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
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed