SCHEMBL6895025

SCHEMBL6895025

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.45
GRIN2B Q13224 5/20 0.45
CCR2 P41597 1/20 0.45
AR P10275 1/20 0.40
CNR1 P21554 1/20 0.40
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
POLB P06746 1/20 0.39
ADRA1D P25100 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
P2RX1 P51575 1/20 0.38
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
P2RX7 Q99572 1/20 0.37
CLPP Q16740 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
HSD17B13 Q7Z5P4 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
SCHEMBL6895364 0.92 GRIN1 (0.45) GRIN1GRIN2BCCR2ARKLKB1
SCHEMBL6897038 0.89 PLA2G2A (0.46) GRIN1GRIN2BCCR2DRD2TBXA2R
SCHEMBL6690879 0.89 DRD2 (0.47) ARDRD2TBXA2RPOLBALOX5
SCHEMBL6775268 0.88 ADRA1D (0.48) GRIN1GRIN2BCCR2CNR1KLKB1
SCHEMBL6890338 0.87 MAPT (0.44) CNR1DRD2TBXA2RPOLBP2RX7
SCHEMBL6894303 0.87 DRD2 (0.44) ARDRD2TBXA2RKLKB1KLK1
SCHEMBL6694145 0.87 KLKB1 (0.46) GRIN1GRIN2BCCR2ARKLKB1
SCHEMBL6897098 0.86 CYP19A1 (0.44) CNR1DRD2TBXA2RPOLBP2RX7
SCHEMBL6894657 0.86 MAPT (0.42) GRIN1GRIN2BDRD2TBXA2RPOLB
SCHEMBL6896662 0.86 KLKB1 (0.44) GRIN1GRIN2BCCR2ARKLKB1

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-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed