SCHEMBL5728176

SCHEMBL5728176

CC(C)(C)OC(=O)C1(NCc2cccc(F)c2)NC(c2ccccc2)C(c2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.42
KDM1A O60341 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
P2RX7 Q99572 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SRC P12931 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 1/20 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
SCHEMBL5728312 0.88 TP53 (0.46) MAOBALDH1A1LMNATP53
SCHEMBL5728418 0.86 TACR1 (0.36) KDM1AMAOAMAOBALDH1A1LMNA
SCHEMBL5740873 0.82 HPGD (0.40) KDM1ACTSSCTSKALDH1A1TP53
SCHEMBL5728175 0.75 GAA (0.44) ALDH1A1TP53
SCHEMBL5727635 0.72 MAOB (0.41) KDM1AMAOAMAOBALDH1A1LMNA
SCHEMBL6285264 0.70 CTSS (0.56) CTSSCTSKLMNASRCEPHX2
SCHEMBL31456961 0.70 CTSS (0.56) CTSSCTSKLMNASRCEPHX2
SCHEMBL5739111 0.69 AKT1 (0.41) CTSS
SCHEMBL3255000 0.69 P2RX7 (0.43) P2RX7ALDH1A1LMNAPKMTP53
SCHEMBL5727679 0.69 RECQL (0.40) KDM1AMAOBALDH1A1LMNA

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-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed