SCHEMBL5239356

SCHEMBL5239356

O=C(O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SLC6A7 Q99884 2/20 0.68
POLB P06746 2/20 0.68
ALDH1A1 P00352 5/20 0.56
USP2 O75604 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AKR1C3 P42330 1/20 0.53
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50

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
SCHEMBL631962 0.88 ALDH1A1 (0.69) MEN1KMT2ASLC6A7POLBALDH1A1
Hydrochloric Acid SCHEMBL5492248 0.86 ALDH1A1 (0.67) MEN1KMT2ASLC6A7POLBALDH1A1
SCHEMBL5233523 0.86 TSHR (0.59) MEN1KMT2ASLC6A7POLBALDH1A1
SCHEMBL5237158 0.86 KMT2A (0.68) MEN1KMT2ASLC6A7POLBALDH1A1
SCHEMBL5233832 0.86 LMNA (0.62) MEN1KMT2ASLC6A7POLBALDH1A1
SCHEMBL5238969 0.84 USP2 (0.59) MEN1KMT2ASLC6A7POLBALDH1A1
Fluoride SCHEMBL27569822 0.82 MEN1 (0.56) MEN1KMT2ASLC6A7POLBALDH1A1
SCHEMBL14438077 0.82 MAPT (0.74) MEN1KMT2ASLC6A7POLBALDH1A1
SCHEMBL5231928 0.82 CA12 (0.66) MEN1KMT2ASLC6A7POLBMAPK1
SCHEMBL5235731 0.82 PANK3 (0.54) MEN1KMT2ASLC6A7POLBALDH1A1

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
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed