SCHEMBL5236205

SCHEMBL5236205

CNC1(C(C)=O)CN(c2ccc(-c3ccccc3OCc3ccccc3)cc2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP2 Q13822 1/20 0.38
PTGER1 P34995 6/20 0.37
PTGER4 P35408 3/20 0.37
PTGER3 P43115 3/20 0.37
PTGER2 P43116 3/20 0.37
FFAR2 O15552 1/20 0.37
BRD4 O60885 1/20 0.37
DHODH Q02127 2/20 0.37
GRM5 P41594 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 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
SCHEMBL5236266 0.86 MAPT (0.41) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL5236214 0.83 RXRA (0.39) RXRARXRBRXRGMCL1KDM4E
SCHEMBL5236546 0.82 USP2 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5236779 0.80 HDAC8 (0.39) MCL1KDM4EMAPTALDH1A1NPSR1
SCHEMBL5238186 0.79 CYP2C19 (0.43) MAPTALDH1A1MEN1KMT2A
SCHEMBL5236759 0.78 MCL1 (0.41) MCL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5234829 0.77 GRM5 (0.54) RXRARXRBRXRGMCL1KDM4E
SCHEMBL5232288 0.76 MAPT (0.41) KDM4EMAPTALDH1A1GAALMNA
SCHEMBL5232202 0.76 RAB9A (0.40) MCL1KDM4EMAPTALDH1A1GAA
SCHEMBL5235440 0.76 ALDH1A1 (0.40) KDM4EMAPTALDH1A1LMNAMEN1

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