SCHEMBL7946808

SCHEMBL7946808

CCC(COc1ccccc1)Nc1nc(N)nc(C(C)F)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 2/20 0.36
HTR6 P50406 2/20 0.36
DRD2 P14416 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL9292056 0.87 MAOA (0.48) HTR7ADRA1DADRA1AADRA1BMAOA
SCHEMBL8070478 0.81 TSHR (0.43) HTR7ADRA1DADRA1AADRA1BMAOA
SCHEMBL6262900 0.81 HRH4 (0.35) HTR7ADRA1DADRA1AADRA1BHTR6
SCHEMBL7751584 0.79 MAOA (0.38) HTR7ADRA1DADRA1AADRA1BMAOA
SCHEMBL7723310 0.78 HTR7 (0.43) HTR7ADRA1DADRA1AADRA1BHTR2A
SCHEMBL7113219 0.78 LMNA (0.38) ALDH1A1LMNA
SCHEMBL6262182 0.76 TLR8 (0.33) HTR7HTR2AHTR6
SCHEMBL9291907 0.75 ADRB2 (0.41) HTR7ADRA1DADRA1AADRA1BMAOA
SCHEMBL9291585 0.73 LMNA (0.40) ALDH1A1LMNA
SCHEMBL19336345 0.73 HTR7 (0.38) HTR7ADRA1DADRA1AADRA1BHTR2A

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
WO-2001043546-A2 COMBINATIONS OF HERBICIDAL ALKYLAZINES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-06-21 WO disclosed