SCHEMBL5987058

SCHEMBL5987058

CCC(c1cc(F)cc2ccoc12)C(N)OC(=O)C(=O)OC(N)C(CC)c1cc(F)cc2ccoc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SHBG P04278 1/20 0.31
MAP2K1 Q02750 1/20 0.31

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
SCHEMBL5988291 0.83 PPARG (0.35)
SCHEMBL5988618 0.79 CA9 (0.31) KDM4EPOLBMAPTHSD17B10MAP2K1
Oxalic Acid SCHEMBL5987052 0.73 GAA (0.32) P4HB
SCHEMBL5988442 0.73 PTGS1 (0.37) KDM4EPOLBMAPTHSD17B10MAOA
SCHEMBL5987778 0.72 ALDH1A1 (0.31) P4HBKDM4EPOLBMAPTHSD17B10
SCHEMBL5987127 0.72 MAPT (0.36) KDM4EPOLBMAPTHSD17B10MAOA
SCHEMBL5986973 0.72 P4HB (0.33) P4HBKDM4EPOLBMAPTHSD17B10
SCHEMBL5986481 0.72 P4HB (0.31) P4HBMAOA
Oxalic Acid SCHEMBL5987258 0.71 P4HB (0.32) P4HBKDM4EPOLBMAPTHSD17B10
SCHEMBL5987440 0.71 DPP4 (0.33) KDM4EPOLBMAPTHSD17B10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed