SCHEMBL8320616

SCHEMBL8320616

CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
RORC P51449 4/20 0.39
PTGER1 P34995 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PLA2G1B P04054 1/20 0.37

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
SCHEMBL7006648 0.85 PLA2G1B (0.44) ATP4AATP4BPTGER1PLA2G1B
SCHEMBL7013840 0.84 PLA2G1B (0.47) RXRARXRBRXRGATP4AATP4B
SCHEMBL7014844 0.83 ATM (0.48) MRGPRX4RXRARXRBRXRGATP4A
SCHEMBL7005971 0.83 MRGPRX4 (0.45) MRGPRX4ATP4AATP4BNPC1PLA2G1B
SCHEMBL9080274 0.82 PLA2G1B (0.45) MRGPRX4PTGER1FFAR4PLA2G1B
SCHEMBL7016240 0.79 ATM (0.44) MRGPRX4RXRARXRBRXRGATP4A
SCHEMBL7006665 0.79 PLA2G1B (0.43) MRGPRX4RXRARXRBRXRGATP4A
SCHEMBL7013814 0.79 ATP4A (0.42) MRGPRX4ATP4AATP4BPTGER1NPC1
SCHEMBL7011444 0.78 ATP4A (0.43) MRGPRX4RXRARXRBRXRGATP4A
SCHEMBL7005845 0.76 ABCB1 (0.47) MRGPRX4ATP4AATP4BPLA2G1B

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
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