SCHEMBL3482997

SCHEMBL3482997

NC(=O)OCCC(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ENPP2 Q13822 2/20 0.50
MAPT P10636 9/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MC4R P32245 1/20 0.46
MGLL Q99685 1/20 0.45
HTT P42858 2/20 0.44
TP53 P04637 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
SCHEMBL3483021 0.91 MC4R (0.46) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3482581 0.86 ME2 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3482900 0.84 KMT2A (0.52) POLBMEN1KMT2AMAPTLMNA
SCHEMBL11557311 0.80 POLB (0.66) POLBMEN1KMT2AENPP2MAPT
SCHEMBL2114419 0.77 ADRB1 (0.57) POLBMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL3482959 0.76 AOC3 (0.43) MAPTMC4RTP53
SCHEMBL3482923 0.75 TP53 (0.50) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3482937 0.73 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12005574 0.73 POLB (1.00) POLBMEN1KMT2AENPP2MAPT
SCHEMBL3482899 0.73 CCR3 (0.57) KMT2AMAPTALDH1A1HTTTP53

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