SCHEMBL7872432

SCHEMBL7872432

C1=C(c2ccc3[nH]c(CC[C@@H]4CCCN4)cc3c2)CCN2CCC[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PHKG2 P15735 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MARK3 P27448 1/20 0.35
PRKCI P41743 1/20 0.35
CLK2 P49760 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PRKCD Q05655 1/20 0.35
MAP4K2 Q12851 1/20 0.35
STK3 Q13188 1/20 0.35
CAMK2B Q13554 1/20 0.35
CAMK2G Q13555 1/20 0.35
CAMK2D Q13557 1/20 0.35
PKN2 Q16513 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35

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
SCHEMBL7878674 0.81 HTR6 (0.37) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL7006006 0.80 SLC6A4 (0.54) SLC6A4
SCHEMBL6426242 0.68 MAPK11 (0.43) MAPK11MAPK14
SCHEMBL6426765 0.68 MAPK11 (0.43) MAPK11MAPK14
SCHEMBL7006008 0.65 HTR1D (0.62)
SCHEMBL15785424 0.64 MAPK11 (0.45) MAPK11MAPK14CHRNA7PARP1MEN1
SCHEMBL6427931 0.64 HTR6 (0.36) MAPK11MAPK14PARP1
SCHEMBL7008669 0.63 HTR1D (0.61) SLC6A4
SCHEMBL7008663 0.63 HTR1D (0.61) SLC6A4
SCHEMBL7010589 0.62 SLC6A4 (0.53) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329390-B1 BIHETEROCYCLIC INDOLES AS ANALGESICS AND NERVOUS SYSTEM DISORDERS NPS ALLELIX CORP. (CA) 2001-12-11 US disclosed