SCHEMBL6199771

SCHEMBL6199771

OCCn1ncc2c1-c1ccoc1CC2

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
KDM4E B2RXH2 2/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
Hydrochloric Acid SCHEMBL7939226 0.85 KDM4E (0.63) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6194576 0.80 MAPT (0.64) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6199260 0.80 KDM4E (0.44) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6195101 0.76 KDM4E (0.41) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6199018 0.74 KDM4E (0.39) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6195098 0.73 PLK4 (0.40) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6196389 0.70 DRD4 (0.38) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6195969 0.68 DRD4 (0.33) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6200590 0.68 DRD4 (0.33) MAPTKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6199867 0.68 DRD4 (0.38) MAPTKDM4EHSD17B10TDP1L3MBTL1

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-0990650-B1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP disclosed
CN-1097054-C Tricyclic pyrazol derivatives YAMANOUCHI PHARMA CO LTD (JP) 2002-12-25 CN disclosed
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP disclosed
CN-1203234-A Tricyclic pyrazol derivatives YAMANOUCHI PHARMA CO LTD (JP) 1998-12-30 CN disclosed