SCHEMBL5237258

SCHEMBL5237258

CNC(=O)COC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.45
EGLN1 Q9GZT9 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
DRD4 P21917 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CACNA1H O95180 1/20 0.39

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
SCHEMBL5237613 0.90 CACNA1H (0.46) EGLN1SMN1; SMN2KDM4EHTTHSD17B10
SCHEMBL5236004 0.86 SMN1; SMN2 (0.52) WNT3ASMN1; SMN2KDM4EHTTHSD17B10
SCHEMBL5240826 0.84 EGLN1 (0.43) EGLN1SMN1; SMN2KDM4EHTTHSD17B10
SCHEMBL14341174 0.84 WNT3A (0.51) WNT3ASMN1; SMN2KDM4EHTTHSD17B10
SCHEMBL5241403 0.83 FAAH (0.48) SMN1; SMN2KDM4ELMNAHPGDNPSR1
SCHEMBL5237599 0.83 EGLN1 (0.55) WNT3AEGLN1SMN1; SMN2KDM4EHTT
SCHEMBL5236980 0.82 L3MBTL1 (0.50) SMN1; SMN2KDM4EHTTLMNAMAPK1
SCHEMBL593375 0.82 SMN1; SMN2 (0.56) WNT3ASMN1; SMN2KDM4EHTTHSD17B10
SCHEMBL593717 0.81 SMN1; SMN2 (0.48) WNT3ASMN1; SMN2KDM4ELMNAHPGD
SCHEMBL5237004 0.81 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EHTTLMNAHPGD

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