SCHEMBL5790728

SCHEMBL5790728

COc1ccc(C(=O)C2CCN(C(CN)Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.59
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
SLC18A3 Q16572 2/20 0.48
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL5789138 0.89 SLC18A3 (0.52) MGLLKMT2AMEN1POLBLMNA
SCHEMBL6007347 0.81 MGLL (0.59) MGLLKMT2AMEN1POLBLMNA
SCHEMBL5789497 0.77 HTR2A (0.54) MGLLKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5790034 0.76 KCNH2 (0.52) MGLLSMN1; SMN2TSHRALDH1A1HSD11B1
SCHEMBL21625275 0.75 MGLL (1.00) MGLLKMT2AMEN1POLBLMNA
SCHEMBL5791361 0.74 MEN1 (0.57) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL21926373 0.72 KMT2A (0.74) KMT2AMEN1SMN1; SMN2SLC18A3ALDH1A1
SCHEMBL21928858 0.72 KMT2A (0.74) KMT2AMEN1SMN1; SMN2SLC18A3ALDH1A1
SCHEMBL6007922 0.70 SLC18A3 (0.57) KMT2AMEN1POLBLMNASMN1; SMN2
SCHEMBL11103861 0.70 POLB (0.73) MGLLKMT2AMEN1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed