SCHEMBL4393046

SCHEMBL4393046

COc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.66
MCHR1 Q99705 4/20 0.59
CCR3 P51677 4/20 0.55
ACHE P22303 1/20 0.54
POLB P06746 1/20 0.53
SSTR5 P35346 5/20 0.53
KMT2A Q03164 1/20 0.52

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
SCHEMBL2071149 0.95 HPGDS (0.62) HPGDSMCHR1CCR3SSTR5
SCHEMBL2072112 0.95 HPGDS (0.62) HPGDSMCHR1CCR3SSTR5
SCHEMBL2073328 0.94 HPGDS (0.65) HPGDSMCHR1CCR3POLBSSTR5
SCHEMBL2070206 0.94 HPGDS (0.65) HPGDSMCHR1CCR3ACHEPOLB
SCHEMBL2071099 0.94 HPGDS (0.61) HPGDSMCHR1CCR3ACHESSTR5
SCHEMBL2071664 0.94 HPGDS (0.64) HPGDSMCHR1CCR3POLBSSTR5
SCHEMBL2073464 0.94 HPGDS (0.64) HPGDSMCHR1CCR3SSTR5
SCHEMBL2073983 0.93 HPGDS (0.60) HPGDSMCHR1CCR3POLBSSTR5
SCHEMBL2071134 0.93 HPGDS (0.63) HPGDSMCHR1CCR3POLBSSTR5
SCHEMBL2073594 0.93 HPGDS (0.63) HPGDSMCHR1CCR3ACHESSTR5

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-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed