SCHEMBL5423587

SCHEMBL5423587

CNc1c(N)cnn1CC(C)N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.43
HTR2A P28223 18/20 0.43
HTR2B P41595 8/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR1D P28221 1/20 0.41
HTR7 P34969 1/20 0.41
HTR4 Q13639 1/20 0.41

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
SCHEMBL5160540 0.78 HTR2C (0.47) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4804121 0.74 CYP1A2 (0.36)
SCHEMBL6068346 0.74 HTR2C (0.44) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL5423579 0.74
SCHEMBL5424153 0.71 LMNA (0.35)
SCHEMBL14445262 0.71 GAA (0.40)
SCHEMBL5427359 0.71 CNR1 (0.34)
SCHEMBL5420273 0.71 LRRK2 (0.38)
Hydrochloric Acid SCHEMBL5427295 0.70 LRRK2 (0.37)
SCHEMBL5441226 0.70 LMNA (0.34) HTR2CHTR2AHTR2BHTR1AADRA2A

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-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed