SCHEMBL6364909

SCHEMBL6364909

Cc1nn(CC(C)N)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.57
HTR2C P28335 10/20 0.49
HTR2A P28223 9/20 0.49
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR2B P41595 2/20 0.37
HTR1D P28221 1/20 0.37

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
Fumaric Acid SCHEMBL5678010 0.88 GLS (0.46) GLSHTR2CHTR2ACHRM2CHRM1
Fumaric Acid SCHEMBL5678017 0.88 GLS (0.46) GLSHTR2CHTR2ACHRM2CHRM1
SCHEMBL19675194 0.86 GLS (0.60) GLSCHRM2CHRM1LMNASMN1; SMN2
SCHEMBL3136016 0.78 HTR2A (0.56) HTR2CHTR2AHTR1AADRA2AADRA2B
SCHEMBL6090368 0.77 GLS (0.66) GLSLMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL905840 0.76 HTR2C (0.58) HTR2CHTR2AHTR2B
SCHEMBL15241840 0.75 GLS (0.64) GLSCHRM2CHRM1LMNASMN1; SMN2
SCHEMBL905693 0.74 ADORA2A (0.45) HTR2CHTR2AHTR1AADRA2AADRA2B
SCHEMBL19596918 0.74 GLS (0.72) GLSLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL13777341 0.72 L3MBTL1 (0.62) GLSCHRM2CHRM1LMNASMN1; SMN2

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-6956036-B1 6-hydroxy-indazole derivatives for treating glaucoma ALCON, INC. (CH) 2005-10-18 US disclosed