SCHEMBL6468396

SCHEMBL6468396

CC(C)CCN(C(=O)O)C(=O)N(CCCc1ccccc1)C(=O)C1=NCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
CYP2C19 P33261 1/20 0.34
FAAH O00519 1/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL7046316 0.88 CHRM5 (0.36) LMNAPKMHDAC3HDAC4HDAC1
SCHEMBL6466391 0.83 LMNA (0.35) LMNAPKMSIGMAR1OPRM1OPRD1
SCHEMBL6475520 0.76 DAGLA (0.50) FAAH
SCHEMBL6063277 0.74 LMNA (0.37) LMNAPKMSIGMAR1OPRM1OPRD1
SCHEMBL7567535 0.73 DAGLA (0.43) LMNAPKMFAAHKMT2A
SCHEMBL7046896 0.73 CCR6 (0.33) LMNAPKMOPRM1OPRD1OPRK1
SCHEMBL7416860 0.71 CHRM2 (0.33) LMNAPKMOPRM1OPRD1OPRK1
SCHEMBL7416862 0.71 CHRM2 (0.33) LMNAPKMOPRM1OPRD1OPRK1
SCHEMBL6467733 0.71 ALDH1A1 (0.36) LMNAPKMCYP2C19HPGDALDH1A1
SCHEMBL6467199 0.70 DAGLA (0.41) LMNAPKMHPGDSMN1; SMN2RAB9A

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed