SCHEMBL7602497

SCHEMBL7602497

CC(CCc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
KDM4E B2RXH2 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
APAF1 O14727 1/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 3/20 0.55
MEN1 O00255 3/20 0.55
TSHR P16473 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2C19 P33261 2/20 0.55
LMNA P02545 2/20 0.55
BLM P54132 2/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.55
CYP3A4 P08684 3/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL28931928 0.86 ALDH1A1 (0.56) MAPTKDM4EL3MBTL1APAF1POLB
SCHEMBL4666382 0.85 POLB (0.76) MAPTKDM4EL3MBTL1APAF1POLB
SCHEMBL8266826 0.85 POLB (0.76) MAPTKDM4EL3MBTL1APAF1POLB
SCHEMBL23249644 0.83 ALDH1A1 (0.55) MAPTKDM4EL3MBTL1APAF1POLB
SCHEMBL7829243 0.83 NPC1 (0.48) MAPTKDM4EL3MBTL1APAF1POLB
SCHEMBL26428319 0.82 HTR2A (0.60) MAPTKDM4EL3MBTL1APAF1POLB
SCHEMBL23762398 0.82 HTR2A (0.60) MAPTKDM4EL3MBTL1APAF1POLB
SCHEMBL9773066 0.80 HTR2A (0.71) MAPTKDM4EALDH1A1CYP1A2MEN1
SCHEMBL29611875 0.80 HTR2A (0.71) MAPTKDM4EALDH1A1CYP1A2MEN1
SCHEMBL1250035 0.80 HTR2A (0.71) MAPTKDM4EALDH1A1CYP1A2MEN1

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-1254114-A2 MELANOCORTIN RECEPTOR AGONISTS AND ANTAGONISTS Melacure Therapeutics AB (SE) 2002-11-06 EP disclosed
WO-2001055106-A2 NOVEL MELANOCORTIN RECEPTOR AGONISTS AND ANTAGONISTS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO disclosed