SCHEMBL6411056

SCHEMBL6411056

O=C1CN(C(=O)OCc2ccccc2)CCN1Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NAAA Q02083 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.46
HRH3 Q9Y5N1 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR4A2 P43354 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8161012 0.98 FAAH (0.51) FAAHALDH1A1KDM4ELMNAHTT
SCHEMBL3902852 0.87 SMN1; SMN2 (0.56) L3MBTL1NPC1RAB9ASMN1; SMN2HRH3
SCHEMBL4359832 0.81 KDM1A (0.52) FAAHALDH1A1LMNAL3MBTL1NPC1
SCHEMBL1208730 0.81 SMN1; SMN2 (0.49) FAAHALDH1A1LMNAHTTL3MBTL1
SCHEMBL29010221 0.81 CYP46A1 (0.54) KDM4ENPC1RAB9ASMN1; SMN2HRH3
SCHEMBL12523823 0.79 P2RX7 (0.53) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL8386105 0.79 KMT2A (0.52) NPC1RAB9ASMN1; SMN2PTGDR2HRH3
SCHEMBL4392688 0.79 NPC1 (0.39) FAAHL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4392312 0.78 FNTA (0.57) FAAHALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3622805 0.78 MEN1 (0.51) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed