SCHEMBL7006841

SCHEMBL7006841

COc1ccc2cnn(C(C)CN)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.59
HTR2A P28223 2/20 0.59
HTR2B P41595 1/20 0.59
KMO O15229 1/20 0.44
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ABCB11 O95342 1/20 0.37
CA2 P00918 1/20 0.37
PIM3 Q86V86 1/20 0.37
PDE9A O76083 1/20 0.36
HASPIN Q8TF76 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36

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
SCHEMBL7997898 0.79 KMO (0.46) HTR2CHTR2AHTR2BKMOADRA2A
SCHEMBL14746650 0.75 HTR2A (0.50) HTR2CHTR2AHTR2BKMOMAPT
SCHEMBL13113212 0.75 HTR2A (0.59) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL31079387 0.74 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL6364886 0.74 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL3662545 0.73 HTR2A (0.57) HTR2CHTR2AHTR2BMAPTSMN1; SMN2
SCHEMBL3861479 0.72 DYRK1A (0.39) HTR2CHTR2AHTR2BADRA2AADRA1A
SCHEMBL7008755 0.72 CA1 (0.46) HTR2CHTR2AHTR2BKMOMAPT
SCHEMBL28707949 0.71 HTR2A (0.67) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL14349825 0.70 KMO (0.58) HTR2CHTR2AHTR2BKMOMAPT

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
EP-1268438-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA Alcon, Inc (CH) 2003-01-02 EP disclosed
WO-2001070702-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed