SCHEMBL7790478

SCHEMBL7790478

CC(=O)NC1CCC(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 2/20 0.50
NPC1 O15118 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
ATF4 P18848 1/20 0.45
BTK Q06187 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
EPHX2 P34913 2/20 0.44
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL668906 0.82 POLB (0.68) POLBALDH1A1EPHX1NPC1CYP2C9
SCHEMBL11808670 0.82 POLB (0.68) POLBALDH1A1EPHX1NPC1CYP2C9
SCHEMBL25039445 0.81 EPHX2 (0.55) EPHX1NPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1919158 0.80 POLB (0.66) POLBALDH1A1EPHX1NPC1CYP2C9
SCHEMBL7784546 0.80 POLB (0.50) POLBALDH1A1EPHX1NPC1CYP2C9
SCHEMBL31205836 0.79 DRD2 (0.50) POLBALDH1A1EPHX1NPC1CYP2C9
SCHEMBL7790011 0.78 NPC1 (0.56) POLBALDH1A1EPHX1NPC1RAB9A
SCHEMBL13450330 0.77 POLB (0.62) POLBALDH1A1EPHX1NPC1CYP2C9
SCHEMBL7784591 0.77 POLB (0.58) POLBALDH1A1EPHX1NPC1CYP2C9
SCHEMBL7790476 0.76 LMNA (0.46) POLBALDH1A1EPHX1NPC1CYP2C9

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