SCHEMBL7729637

SCHEMBL7729637

Cc1cc2nc(C(O)[C@H](N)CCc3ccccc3)oc2cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.41
METAP1 P53582 4/20 0.41
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
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
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 3/20 0.35
ANPEP P15144 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ERAP2 Q6P179 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL7732448 0.86 METAP2 (0.38) METAP2METAP1MAPTSMN1; SMN2KDM4E
SCHEMBL7561710 0.84 FAAH (0.42) METAP2METAP1MAPTSMN1; SMN2KDM4E
SCHEMBL7732346 0.84 FAAH (0.42) METAP2METAP1MAPTSMN1; SMN2KDM4E
SCHEMBL5431040 0.84 FAAH (0.42) METAP2METAP1MAPTSMN1; SMN2KDM4E
SCHEMBL6462278 0.84 FAAH (0.42) METAP2METAP1MAPTSMN1; SMN2KDM4E
SCHEMBL7736136 0.82 XDH (0.46) METAP2MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL7732480 0.82 HSD17B10 (0.41) METAP2METAP1MAPTSMN1; SMN2KDM4E
SCHEMBL7858147 0.82 XDH (0.46) METAP2MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL7730692 0.82 CTSL (0.42) METAP2METAP1MAPTSMN1; SMN2KDM4E
SCHEMBL7735841 0.80 METAP2 (0.38) METAP2METAP1MAPTSMN1; SMN2KDM4E

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 4 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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed