SCHEMBL7735841

SCHEMBL7735841

Cc1ccc2oc(C(O)[C@H](N)CCc3ccccc3)nc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.38
METAP1 P53582 4/20 0.38
ANPEP P15144 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ERAP2 Q6P179 1/20 0.33
FAAH O00519 1/20 0.32
DHFR P00374 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7729637 0.80 METAP2 (0.41) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL7561710 0.78 FAAH (0.42) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL7732346 0.78 FAAH (0.42) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL6462278 0.78 FAAH (0.42) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL5431040 0.78 FAAH (0.42) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL7736136 0.74 XDH (0.46) METAP2CYP3A4CYP2D6MAPTKDM4E
SCHEMBL7732480 0.74 HSD17B10 (0.41) METAP2METAP1CYP3A4CYP2D6MAPT
SCHEMBL7858147 0.74 XDH (0.46) METAP2CYP3A4CYP2D6MAPTKDM4E
SCHEMBL7730692 0.74 CTSL (0.42) METAP2METAP1CYP3A4CYP2D6MAPT
SCHEMBL7732287 0.74 DAGLA (0.50) METAP2METAP1FAAHKDM4ENPC1

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