SCHEMBL7645786

SCHEMBL7645786

O=[PH](O)CCCCNc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
CCR1 P32246 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
CACNA1G O43497 1/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL7790487 0.79 MPI (0.44) MPIMRGPRX4CCR1KMT2AMAPT
SCHEMBL7645206 0.78 PRSS1 (0.43) KMT2AMAPTMEN1GAA
SCHEMBL7648084 0.77 MEN1 (0.45) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11935561 0.74 FERMT2 (0.55) MPICCR1KMT2AMAPTMEN1
SCHEMBL7646146 0.74 ABL1 (0.43) KMT2AMAPTMEN1HTTPKM
SCHEMBL10396655 0.73 LMNA (0.46) MRGPRX4KMT2AMAPTMEN1HTT
SCHEMBL7646267 0.73 ABL1 (0.33)
SCHEMBL7645784 0.72 CA1 (0.48) MPIMRGPRX4KMT2AMAPTMEN1
SCHEMBL17513470 0.71 TDP1 (0.54) MPIMRGPRX4KMT2AMAPTMEN1
SCHEMBL14140880 0.70 MRGPRX4 (0.47) MPIMRGPRX4KMT2AMAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO claimed