SCHEMBL7784546

SCHEMBL7784546

CC(=O)OC1CCC(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NPY5R Q15761 2/20 0.46
EPHX2 P34913 3/20 0.45
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
CCR5 P51681 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RORC P51449 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL29218851 0.85 POLB (0.46) POLBEPHX2FAAHRHOCRHOA
SCHEMBL7790478 0.80 POLB (0.54) POLBEPHX2RHOCRHOASMN1; SMN2
SCHEMBL11808670 0.78 POLB (0.68) POLBMAPTRHOCRHOASMN1; SMN2
SCHEMBL668906 0.78 POLB (0.68) POLBMAPTRHOCRHOASMN1; SMN2
SCHEMBL28002067 0.76 HSD17B1 (0.45) MAPTSMN1; SMN2CYP2C9LMNAIDO1
Hydrochloric Acid SCHEMBL1919158 0.76 POLB (0.66) POLBMAPTRHOCRHOASMN1; SMN2
SCHEMBL13450330 0.73 POLB (0.62) POLBMAPTRHOCRHOASMN1; SMN2
SCHEMBL7784591 0.73 POLB (0.58) POLBMAPTRHOCRHOASMN1; SMN2
SCHEMBL20677078 0.73 POLB (0.61) POLBRHOCRHOASMN1; SMN2NPC1
SCHEMBL31205836 0.72 DRD2 (0.50) POLBMAPTSMN1; SMN2NPC1ALDH1A1

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-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed