SCHEMBL7015571

SCHEMBL7015571

COc1ccn2c(C(=O)c3ccccc3-c3ccccc3)c(C3CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP2C8 P10632 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
TRPV1 Q8NER1 2/20 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
SCHEMBL7011897 0.82 TAS1R3 (0.45) GAAKDM4EPOLBTAS1R3TAS1R1
SCHEMBL7006699 0.74 PLA2G1B (0.39) HCRTR1HCRTR2BAZ2BBAZ2A
SCHEMBL8324753 0.70 RXRA (0.42) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL3890527 0.66 THRB (0.49) GAAPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL8887143 0.66 GAA (0.59) GAAKDM4EPOLBTAS1R3TAS1R1
SCHEMBL8338154 0.65 SMN1; SMN2 (0.71) GAAKDM4EPOLBCYP2C8SMN1; SMN2
SCHEMBL7013787 0.65 CYP1A2 (0.47) POLBSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3886748 0.65 SMN1; SMN2 (0.49) GAAKDM4EPOLBSMN1; SMN2MAPT
SCHEMBL8782870 0.64 CYP1A2 (0.57) GAAKDM4EPOLBTAS1R3TAS1R1
SCHEMBL30045516 0.64 GAA (0.60) GAAKDM4EPOLBCYP2C8SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed