SCHEMBL8302600

SCHEMBL8302600

O=C(NC1C(=O)Cc2ccccc21)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.54
FAAH O00519 1/20 0.51
CNR2 P34972 1/20 0.51
TAOK3 Q9H2K8 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
GUSB P08236 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
EZH2 Q15910 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL8303830 0.78 NAMPT (0.54) TAOK1FAAHCNR2TAOK3NPC1
SCHEMBL1477287 0.77 SLC6A5 (0.65) TAOK1FAAHCNR2TAOK3NPC1
SCHEMBL16071254 0.74 NAAA (0.54) FAAHCNR2NPC1RAB9ASMN1; SMN2
SCHEMBL16058642 0.74 NAAA (0.54) FAAHCNR2NPC1RAB9ASMN1; SMN2
SCHEMBL16058617 0.74 NAAA (0.54) FAAHCNR2NPC1RAB9ASMN1; SMN2
SCHEMBL863916 0.72 ALDH1A1 (0.88) NPC1RAB9ASMN1; SMN2NR4A1NR4A2
SCHEMBL18304442 0.72 SLC6A5 (0.60) TAOK1FAAHCNR2TAOK3NPC1
SCHEMBL9201093 0.71 FAAH (0.53) TAOK1FAAHCNR2NPC1RAB9A
SCHEMBL9201097 0.71 FAAH (0.53) TAOK1FAAHCNR2NPC1RAB9A
SCHEMBL9196805 0.71 MMP2 (0.56) TAOK1FAAHCNR2TAOK3NPC1

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
EP-0758312-B1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS LILLY CO ELI (US) 1999-12-22 EP disclosed
EP-0758312-A4 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS LILLY CO ELI (US) 1997-09-10 EP disclosed
EP-0758312-A1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1997-02-19 EP disclosed
US-5583221-A ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS, VIRICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1996-12-10 US disclosed
WO-1995030640-A1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1995-11-16 WO disclosed