SCHEMBL6016918

SCHEMBL6016918

CC(=O)Oc1cnc(Cc2ccc(NC(=O)/C=C/c3ccccc3)cc2)nc1N(C)CC(=O)NC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
MCHR1 Q99705 1/20 0.38
ACHE P22303 5/20 0.38
BCHE P06276 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
CCR5 P51681 1/20 0.36
NAMPT P43490 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL1652165 0.87 PTGDR2 (0.40) EGFRMCHR1ACHEBCHEMAOA
SCHEMBL1652160 0.87 PTGDR2 (0.40) EGFRMCHR1ACHEBCHEMAOA
SCHEMBL1652406 0.80 PTGDR2 (0.44) EGFRMCHR1ACHEBCHEMAOA
SCHEMBL1652412 0.80 PTGDR2 (0.44) EGFRMCHR1ACHEBCHEMAOA
SCHEMBL6886098 0.77 MAPT (0.46) EGFRMCHR1ACHEBCHERAB9A
SCHEMBL2009570 0.73 PTGDR2 (0.46) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL1009817 0.71 PTGDR2 (0.38) MCHR1LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1651355 0.71 PTGDR2 (0.48) EGFRACHEBCHEMAOAMAOB
SCHEMBL1651358 0.71 PTGDR2 (0.48) EGFRACHEBCHEMAOAMAOB
SCHEMBL6016813 0.71 EGFR (0.46) EGFRMCHR1ACHEBCHEMAOA

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-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed