SCHEMBL28055017

SCHEMBL28055017

NC(=O)CCCCc1ccccc1CCO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
MPO P05164 3/20 0.44
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MTNR1A P48039 1/20 0.40
TLR8 Q9NR97 1/20 0.40
FFAR1 O14842 1/20 0.38
TBXAS1 P24557 1/20 0.38
IAPP P10997 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTPN1 P18031 1/20 0.36
ATM Q13315 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
SCHEMBL29407477 0.90 CYP4F2 (0.49) CYP4F2CYP4A11MPOMAPTRXFP1
SCHEMBL517084 0.90 CYP4F2 (0.49) CYP4F2CYP4A11MPOMAPTRXFP1
SCHEMBL5878486 0.90 CYP4F2 (0.49) CYP4F2CYP4A11MPOMAPTRXFP1
SCHEMBL9395052 0.90 CYP4F2 (0.49) CYP4F2CYP4A11MPOMAPTRXFP1
SCHEMBL8967245 0.88 CYP4F2 (0.43) CYP4F2CYP4A11MPOMTNR1AFFAR1
SCHEMBL5614218 0.80 PTGER1 (0.51) CYP4F2CYP4A11MPOFFAR1
SCHEMBL9321175 0.79 MTNR1A (0.47) CYP4F2CYP4A11MPOMTNR1AIAPP
SCHEMBL4685412 0.78 TAAR1 (0.50) CYP4F2CYP4A11MPOMAPTRXFP1
SCHEMBL5105805 0.78 MAOA (0.43) MPOMTNR1APTPN1
SCHEMBL31203 0.76 TDP1 (0.55) CYP4F2CYP4A11FFAR1PTPN1

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-103857670-B 2-oxo-piperidinyl derivatives UCB PHARMA S.A. (BE) 2016-03-23 CN disclosed