SCHEMBL4596725

SCHEMBL4596725

Clc1ccc(Cl)c(-c2cccc3c2OC([CH]Cc2ccccc2)C3)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
DPP4 P27487 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
GRM5 P41594 1/20 0.32
CXCR2 P25025 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
AQP1 P29972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4596775 0.91 AQP1 (0.40) DPP4GRM5MEN1KMT2ACYP1A2
SCHEMBL4596399 0.89 HTR1A (0.34) MEN1KMT2AAQP1ALDH1A1NPSR1
SCHEMBL4595082 0.86 AQP1 (0.33) DPP4SIRT2MEN1KMT2ASLC6A2
SCHEMBL6047944 0.85 P2RX7 (0.38) CXCR2SLC6A2SLC6A4
SCHEMBL4596675 0.83 AQP1 (0.37) SIRT2AQP1
SCHEMBL4596984 0.82 AQP1 (0.45) DPP4SIRT2GRM5CXCR2CYP1A2
SCHEMBL6047967 0.80 MAPK1 (0.33) NPC1RAB9AALDH1A1HPGD
SCHEMBL4596728 0.78 SIRT2 (0.52) SIRT2CXCR2CYP1A2AQP1
SCHEMBL4596928 0.77 PRKAB2 (0.35) ALDH1A1MAPTLTB4RLTB4R2
SCHEMBL4596492 0.77 AQP1 (0.36) SIRT2AQP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed