SCHEMBL7585532

SCHEMBL7585532

CCCCCCOc1cccc2s[c]nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.50
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PLA2G4B P0C869 1/20 0.38
TLR8 Q9NR97 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL7580732 0.99 MCHR1 (0.49) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL7583364 0.94 MCHR1 (0.48) MCHR1MEN1LMNAMAPTKMT2A
SCHEMBL7575843 0.90 MCHR1 (0.47) MCHR1MEN1LMNAMAPTKMT2A
SCHEMBL557732 0.83 ALDH1A1 (0.53) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL558137 0.75 ALDH1A1 (0.49) MCHR1MEN1LMNACYP3A4MAPT
SCHEMBL5756170 0.74 NPC1 (0.36) MEN1LMNAMAPTKMT2AHDAC6
SCHEMBL5760823 0.72 GAA (0.39) MEN1LMNACYP3A4MAPTKMT2A
SCHEMBL3165980 0.72 MCHR1 (0.47) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL557496 0.71 MCHR1 (0.44) MCHR1MEN1CYP3A4ADRA2AKMT2A
SCHEMBL15172894 0.71 ALDH1A1 (0.55) MCHR1MEN1NR1I2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed