SCHEMBL6175541

SCHEMBL6175541

CC(c1cc(N2CCCCC2)nc2ccccc12)C1(C(C)c2cc(N3CCCCC3)nc3ccccc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.41
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MGLL Q99685 1/20 0.37
MAPT P10636 1/20 0.37
GALR2 O43603 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
HTR2C P28335 2/20 0.36
PDE2A O00408 1/20 0.36
ACP1 P24666 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
CASR P41180 2/20 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
SCHEMBL6172238 0.87 KDM4E (0.39) KDM4EL3MBTL1GAAACHEALDH1A1
SCHEMBL6174312 0.85 POLB (0.40) L3MBTL1POLBMGLLACP1
SCHEMBL6173653 0.85 BACE1 (0.38) L3MBTL1POLBMGLLPDE2AACP1
SCHEMBL6175476 0.85 IGF1R (0.43) MCHR1KDM4EL3MBTL1POLBMGLL
SCHEMBL6172147 0.84 POLB (0.37) L3MBTL1GAAALDH1A1POLBMGLL
SCHEMBL6175741 0.84 POLB (0.37) L3MBTL1POLBMGLLLMNAPDE2A
SCHEMBL6175470 0.83 ACP1 (0.41) L3MBTL1POLBMGLLPDE2AACP1
SCHEMBL6173635 0.81 CCR6 (0.35) MCHR1KDM4EL3MBTL1POLBMAPT
SCHEMBL6175751 0.80 AR (0.41) L3MBTL1GAAALDH1A1POLB
SCHEMBL6173665 0.78 MAPT (0.36) KDM4EL3MBTL1GAAALDH1A1POLB

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed