SCHEMBL7514729

SCHEMBL7514729

NC(=O)CCC(c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A3 Q01959 3/20 0.41
DRD3 P35462 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
EDNRB P24530 1/20 0.41
MAPK1 P28482 1/20 0.41
MC4R P32245 1/20 0.41
MC3R P41968 1/20 0.41
DRD2 P14416 1/20 0.41
KMT2A Q03164 3/20 0.39
EPHX1 P07099 2/20 0.39
ALOX5 P09917 1/20 0.39
MMP2 P08253 2/20 0.38

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
SCHEMBL7553283 0.92 PREP (0.46) PREPCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL18248497 0.89 PREP (0.42) PREPCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL4551819 0.86 PREP (0.44) PREPCYP1A2CYP2D6CYP2C19MAPK1
SCHEMBL4778263 0.82 CYP2C19 (0.47) PREPCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL18248647 0.81 SOAT1 (0.42) PREPCYP1A2CYP2C19KMT2AMEN1
SCHEMBL18248556 0.81 SOAT1 (0.42) PREPCYP1A2CYP2C19KMT2AMEN1
Hydrochloric Acid SCHEMBL6557844 0.81 CYP2C19 (0.46) PREPCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27574175 0.80 KMT2A (0.41) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL9181327 0.79 PREP (0.46) PREPCYP1A2CYP2D6SMN1; SMN2SLC6A3
SCHEMBL18248522 0.79 KDM4E (0.47) CYP1A2CYP2C19LMNAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed