SCHEMBL7011444

SCHEMBL7011444

CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.43
ATP4B P51164 3/20 0.43
PLA2G1B P04054 1/20 0.42
ACHE P22303 1/20 0.41
CYP19A1 P11511 1/20 0.41
ATM Q13315 1/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CNR1 P21554 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL7014844 0.89 ATM (0.48) ATP4AATP4BPLA2G1BATMHPGD
SCHEMBL7016240 0.87 ATM (0.44) ATP4AATP4BPLA2G1BATMHPGD
SCHEMBL7005845 0.86 ABCB1 (0.47) ATP4AATP4BPLA2G1BATMKMT2A
SCHEMBL7006665 0.82 PLA2G1B (0.43) ATP4AATP4BPLA2G1BATMHPGD
SCHEMBL7005971 0.82 MRGPRX4 (0.45) ATP4AATP4BPLA2G1BHPGDCYP1A2
SCHEMBL9080274 0.82 PLA2G1B (0.45) PLA2G1BMRGPRX4
SCHEMBL7014295 0.81 PLA2G1B (0.49) ATP4AATP4BPLA2G1BCYP1A2CYP3A4
SCHEMBL7013814 0.80 ATP4A (0.42) ATP4AATP4BPLA2G1BHPGDCYP1A2
SCHEMBL7006648 0.80 PLA2G1B (0.44) ATP4AATP4BPLA2G1BCYP1A2CYP3A4
SCHEMBL7013840 0.79 PLA2G1B (0.47) ATP4AATP4BPLA2G1BRXRARXRB

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 2 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