SCHEMBL7732448

SCHEMBL7732448

N[C@H](CCc1ccccc1)C(O)c1nc2cc(Cl)c(Cl)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.38
METAP1 P53582 4/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ERAP2 Q6P179 1/20 0.33
XDH P47989 2/20 0.33

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
SCHEMBL7736136 0.87 XDH (0.46) METAP2KDM4ENPC1CYP1A2CYP3A4
SCHEMBL7858147 0.87 XDH (0.46) METAP2KDM4ENPC1CYP1A2CYP3A4
SCHEMBL7729637 0.86 METAP2 (0.41) METAP2METAP1KDM4ENPC1CYP1A2
SCHEMBL7561710 0.84 FAAH (0.42) METAP2METAP1KDM4ENPC1CYP1A2
SCHEMBL7732346 0.84 FAAH (0.42) METAP2METAP1KDM4ENPC1CYP1A2
SCHEMBL5431040 0.84 FAAH (0.42) METAP2METAP1KDM4ENPC1CYP1A2
SCHEMBL6462278 0.84 FAAH (0.42) METAP2METAP1KDM4ENPC1CYP1A2
SCHEMBL7732480 0.82 HSD17B10 (0.41) METAP2METAP1KDM4ENPC1CYP1A2
SCHEMBL7730784 0.80 METAP2 (0.40) METAP2METAP1KDM4ENPC1CYP1A2
SCHEMBL7730692 0.80 CTSL (0.42) METAP2METAP1KDM4ENPC1CYP1A2

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed