SCHEMBL8304191

SCHEMBL8304191

COCOc1ccc(C(=O)NC2Cc3ccccc3C2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
GAA P10253 1/20 0.43
PYGL P06737 2/20 0.42
TAOK1 Q7L7X3 7/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAOK3 Q9H2K8 5/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL8308856 1.00 CNR1 (0.46) CNR1GAAPYGLTAOK1MAPT
SCHEMBL8304284 0.75 SMN1; SMN2 (0.52) GAATAOK1MAPTMEN1KMT2A
SCHEMBL6198595 0.75 CNR1 (0.48) CNR1PYGLMEN1KMT2AALDH1A1
SCHEMBL8308858 0.73 PRMT5 (0.49) CNR1GAAPYGLMEN1KMT2A
SCHEMBL8304193 0.73 PRMT5 (0.49) CNR1GAAPYGLMEN1KMT2A
SCHEMBL8788317 0.73 EZH2 (0.39) GAATAOK1MAPTMEN1KMT2A
SCHEMBL24011024 0.72 CNR1 (0.50) CNR1PYGL
SCHEMBL28324163 0.68 CA1 (0.68) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL26763722 0.68 CNR1 (0.47) CNR1PYGLMMP2MMP9
SCHEMBL8303830 0.68 NAMPT (0.54) TAOK1MAPTMEN1KMT2ATAOK3

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