SCHEMBL7790487

SCHEMBL7790487

OCCCCNc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.44
CCR1 P32246 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALPL P05186 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10396655 0.87 LMNA (0.46) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL23100614 0.83 PRSS1 (0.51) CCR1ALDH1A1GAAMAPTKDM4E
SCHEMBL11935561 0.81 FERMT2 (0.55) MPICCR1MAPTMEN1HTT
SCHEMBL11113640 0.80 MEN1 (0.49) CCR1ALDH1A1LMNAALPLADORA1
SCHEMBL7645786 0.79 MPI (0.43) MPICCR1GAAMAPTHPGD
SCHEMBL24125786 0.79 ALDH1A1 (0.43) ALDH1A1GAAMAPTHPGDTSHR
SCHEMBL7655772 0.77 SMN1; SMN2 (0.48) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL30516524 0.77 PRSS1 (0.49) CCR1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL2794943 0.77 PRSS1 (0.49) CCR1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL8148976 0.77 CDK1 (0.52) ALDH1A1MAPTKDM4EHPGDHSD17B10

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