SCHEMBL3482900

SCHEMBL3482900

COc1ccc(N2CCN(C(CCOC(N)=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 5/20 0.51
TP53 P04637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CCR3 P51677 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MC4R P32245 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL3483021 0.92 MC4R (0.46) KMT2AMEN1MAPTTP53LMNA
SCHEMBL3482937 0.90 KMT2A (0.50) KMT2AMEN1MAPTTP53L3MBTL1
SCHEMBL3482899 0.89 CCR3 (0.57) KMT2AMAPTTP53CCR3ADRB1
SCHEMBL3482581 0.88 ME2 (0.46) KMT2AMEN1MAPTTP53LMNA
SCHEMBL3482588 0.88 ADRB1 (0.49) KMT2AMEN1MAPTTP53LMNA
SCHEMBL3482768 0.86 GFER (0.48) KMT2AMEN1MAPTLMNACCR3
SCHEMBL3482657 0.84 ADRB1 (0.48) KMT2AMEN1MAPTTP53LMNA
SCHEMBL3482997 0.84 POLB (0.54) KMT2AMEN1MAPTTP53LMNA
SCHEMBL3482923 0.82 TP53 (0.50) KMT2AMEN1MAPTTP53L3MBTL1
SCHEMBL3482303 0.82 HSD17B10 (0.51) KMT2AMAPTLMNACCR3ADRB1

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-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed