SCHEMBL7580732

SCHEMBL7580732

CCCCCOc1cccc2s[c]nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.37
CYSLTR2 Q9NS75 2/20 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
SCHEMBL7585532 0.99 MCHR1 (0.50) MCHR1NPSR1MEN1MAPTKMT2A
SCHEMBL7583364 0.95 MCHR1 (0.48) MCHR1MEN1MAPTKMT2AALDH1A1
SCHEMBL7575843 0.91 MCHR1 (0.47) MCHR1MEN1MAPTKMT2AALDH1A1
SCHEMBL557732 0.84 ALDH1A1 (0.53) NPSR1MEN1MAPTKMT2AALDH1A1
SCHEMBL558137 0.76 ALDH1A1 (0.49) MCHR1MEN1MAPTKMT2AALDH1A1
SCHEMBL5756170 0.75 NPC1 (0.36) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL5760823 0.73 GAA (0.39) NPSR1MEN1MAPTKMT2AALDH1A1
SCHEMBL557496 0.72 MCHR1 (0.44) MCHR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL5758606 0.71 HTT (0.41) ALDH1A1KDM4ETDP1
SCHEMBL5758628 0.70 ALDH1A1 (0.33) MEN1MAPTKMT2AALDH1A1CHRM2

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