SCHEMBL6775883

SCHEMBL6775883

NC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.41
F10 P00742 2/20 0.41
PLA2G10 O15496 1/20 0.40
ICMT O60725 5/20 0.39
CCR2 P41597 2/20 0.39
GRM2 Q14416 1/20 0.39
VDR P11473 1/20 0.38
PLA2G2A P14555 3/20 0.38
PLA2G1B P04054 2/20 0.38
FAAH O00519 1/20 0.37
PARP1 P09874 1/20 0.37
CFTR P13569 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
SCHEMBL6772036 0.92 CCR2 (0.41) CTRB1F10ICMTCCR2PLA2G2A
SCHEMBL6770631 0.89 PLA2G2A (0.46) F10PLA2G10PLA2G2APLA2G1BFAAH
SCHEMBL6694433 0.89 PLA2G2A (0.46) PLA2G10PLA2G2APLA2G1BPARP1
SCHEMBL6770697 0.89 F10 (0.46) CTRB1F10PLA2G10ICMTCCR2
SCHEMBL6782681 0.88 ICMT (0.41) CTRB1F10PLA2G10ICMTCCR2
SCHEMBL6894708 0.87 SLC6A2 (0.41) F10CCR2PLA2G2A
SCHEMBL6777431 0.87 PARP1 (0.41) CTRB1F10PLA2G10ICMTCCR2
SCHEMBL6774933 0.86 PLA2G2A (0.42) F10PLA2G10PLA2G2APLA2G1B
SCHEMBL6770280 0.86 PLA2G2A (0.40) PLA2G10ICMTPLA2G2APLA2G1BFAAH
SCHEMBL6778086 0.86 F10 (0.40) CTRB1F10PLA2G10ICMTCCR2

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