SCHEMBL440277

SCHEMBL440277

COc1ccc2c(N)c(Cl)cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
SRC P12931 1/20 0.45
APP P05067 1/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA6 Q16445 2/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
PLAU P00749 2/20 0.43
PLG P00747 1/20 0.43
FERMT2 Q96AC1 1/20 0.43
HPGDS O60760 2/20 0.42
GABRA2 P47869 1/20 0.42
EGFR P00533 2/20 0.41
BCHE P06276 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
SCHEMBL440060 0.87 BCHE (0.50) ACHESRCAPPHTR1AADRA1D
SCHEMBL20480283 0.83 SRC (0.47) SRCGABRA1GABRG2GABRB3GABRA5
SCHEMBL25332124 0.81 SRC (0.45) SRCGABRA1GABRG2GABRB3GABRA5
SCHEMBL21947678 0.81 SRC (0.45) SRCGABRA1GABRG2GABRB3GABRA5
SCHEMBL6473683 0.81 HPGDS (0.44) ACHESRCGABRA1GABRG2GABRB3
SCHEMBL437945 0.81 ACHE (0.47) ACHEAPPGABRA1GABRG2GABRB3
SCHEMBL442249 0.80 NPC1 (0.41)
SCHEMBL442268 0.78 ACHE (0.46) ACHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL24010126 0.75 GABRA1 (0.45) ACHESRCGABRA1GABRG2GABRB3
SCHEMBL30368021 0.75 PIM1 (0.45) ACHEAPPGABRA1GABRG2GABRB3

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed