SCHEMBL5986973

SCHEMBL5986973

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPM8 Q7Z2W7 4/20 0.33
HTR1B P28222 2/20 0.32
CXCL8 P10145 1/20 0.31
EPHX1 P07099 1/20 0.31
NR1I2 O75469 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TRPA1 O75762 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
SCHEMBL5987778 0.79 ALDH1A1 (0.31) P4HBKDM4EPOLBMAPTHSD17B10
SCHEMBL5987776 0.79 HTR1B (0.34) POLBHTR1B
SCHEMBL25528821 0.79 TRPA1 (0.36) P4HBTRPA1
Oxalic Acid SCHEMBL5987258 0.78 P4HB (0.32) P4HBKDM4EPOLBMAPTHSD17B10
SCHEMBL5986108 0.78 KDM4E (0.35) P4HBKDM4EPOLBMAPTHSD17B10
SCHEMBL5988125 0.76 P4HB (0.33) P4HBTRPA1
SCHEMBL5986612 0.75 P4HB (0.32) P4HBTRPA1
Hydrochloric Acid SCHEMBL5987094 0.75 P4HB (0.32) P4HBTRPA1
SCHEMBL5988618 0.73 CA9 (0.31) KDM4EPOLBMAPTHSD17B10
Fumaric Acid SCHEMBL5987263 0.72 NPSR1 (0.34) P4HB

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