SCHEMBL16601607

SCHEMBL16601607

Cc1ccc2c(c1)OCc1nncn1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GRM5 P41594 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
TERT O14746 1/20 0.35
CYP11B2 P19099 1/20 0.33
HTT P42858 3/20 0.33

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
SCHEMBL20085591 0.82 MAPT (0.33) CYP11B2OPRK1PDE4DMAPTNPC1
SCHEMBL14878372 0.79 MAPT (0.39) GABRG2GABRB3GABRA5GRM5GABRP
SCHEMBL87094 0.76 F10 (0.39) GABRG2GABRB3GABRA5GRM5GABRP
SCHEMBL14878375 0.74 GABRA5 (0.39) GABRG2GABRB3GABRA5GRM5GABRP
SCHEMBL18621709 0.73 MAPT (0.38) GABRG2GABRB3GABRA5GRM5GABRP
SCHEMBL18619826 0.73 MAPT (0.35) GABRG2GABRB3GABRA5GRM5GABRP
SCHEMBL14878380 0.73 TERT (0.35) GABRG2GABRB3GABRA5GRM5GABRP
SCHEMBL8182091 0.73 BLM (0.51) GABRG2GABRB3GABRA5CYP11B2HTT
SCHEMBL20085592 0.73 MAPT (0.41) CYP11B2OPRK1PDE4DTSHRMAPT
SCHEMBL14878378 0.73 GABRG2 (0.51) GABRG2GABRB3GABRA5GRM5GABRP

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-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed