SCHEMBL8303830

SCHEMBL8303830

O=C(NC1c2ccccc2CC1O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
TAOK1 Q7L7X3 2/20 0.53
TAOK3 Q9H2K8 1/20 0.52
FAAH O00519 1/20 0.50
CNR2 P34972 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
GUSB P08236 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL7174229 0.84 FFAR1 (0.52)
SCHEMBL7174233 0.84 FFAR1 (0.52)
SCHEMBL3461884 0.83 NAMPT (0.65) NAMPTCNR2ALDH1A1MEN1KMT2A
SCHEMBL8092135 0.83 NAMPT (0.65) NAMPTCNR2ALDH1A1MEN1KMT2A
SCHEMBL8740549 0.83 NAMPT (0.65) NAMPTCNR2ALDH1A1MEN1KMT2A
SCHEMBL7179042 0.79 MMP9 (0.65)
SCHEMBL8092161 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL8096387 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL8302600 0.78 TAOK1 (0.54) TAOK1TAOK3FAAHCNR2NPC1
SCHEMBL21214724 0.78 MMP9 (0.49)

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