SCHEMBL6967276

SCHEMBL6967276

Cn1cc(-c2ccc3c(ccn3-c3ccc(F)cc3)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
KCNH2 Q12809 1/20 0.51
PIK3CA P42336 1/20 0.48
CREBBP Q92793 1/20 0.48
LRRK2 Q5S007 1/20 0.47
MAPT P10636 1/20 0.44
HTR1B P28222 2/20 0.44
HTR1A P08908 1/20 0.44
FLT3 P36888 1/20 0.44
NR3C1 P04150 5/20 0.43
MCHR1 Q99705 1/20 0.41
PGR P06401 3/20 0.41
GPR55 Q9Y2T6 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HTR6 P50406 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL6964471 0.79 DRD2 (0.54) DRD2KCNH2PIK3CAMAPTHTR1B
SCHEMBL6966311 0.79 KCNH2 (0.52) DRD2KCNH2HTR1BHTR1ANR3C1
SCHEMBL6967960 0.79 KCNH2 (0.50) DRD2KCNH2MAPTHTR1BHTR1A
SCHEMBL6966566 0.79 KCNH2 (0.50) DRD2KCNH2MAPTHTR1BHTR1A
SCHEMBL19662764 0.78 LRRK2 (0.70) PIK3CACREBBPLRRK2MAPTMCHR1
SCHEMBL6963230 0.77 DRD2 (0.53) DRD2KCNH2PIK3CAMAPTHTR1B
SCHEMBL6957036 0.77 KCNH2 (0.54) DRD2KCNH2MAPTFLT3NR3C1
SCHEMBL6961517 0.76 DRD2 (0.54) DRD2KCNH2MAPTHTR1BHTR1A
SCHEMBL6966876 0.75 CYP11B2 (0.53) DRD2KCNH2MAPTHTR1BHTR1A
SCHEMBL23762137 0.75 LRRK2 (0.53) PIK3CACREBBPLRRK2MAPTLOXL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602889-B1 5-heteroaryl substituted indoles H. LUNDBECK A.S. (DK) 2003-08-05 US disclosed
EP-1068198-B1 5-HETEROARYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2003-05-28 EP disclosed