SCHEMBL6199018

SCHEMBL6199018

CC1(C)Cc2occc2-c2c1cnn2CCO

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL6199771 0.74 MAPT (0.68) KDM4EMAPTHSD17B10TDP1L3MBTL1
SCHEMBL6199260 0.62 KDM4E (0.44) KDM4EMAPTHSD17B10TDP1L3MBTL1
SCHEMBL6195101 0.56 KDM4E (0.41) KDM4EMAPTHSD17B10TDP1L3MBTL1
SCHEMBL3882223 0.55 PTGIR (0.38) KDM4EHSD17B10
SCHEMBL6194351 0.54 HTR2C (0.61)
SCHEMBL6195265 0.54 PTGIR (0.32) KDM4EMAPTHSD17B10TDP1L3MBTL1
SCHEMBL4125843 0.54 MAPK14 (0.37) MAPT
SCHEMBL6196389 0.54 DRD4 (0.38) KDM4EMAPTHSD17B10TDP1L3MBTL1
SCHEMBL6195098 0.54 PLK4 (0.40) KDM4EMAPTHSD17B10TDP1L3MBTL1
SCHEMBL6076416 0.54 MAPK14 (0.51) MAPT

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
EP-0990650-B1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP 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