SCHEMBL3980684

SCHEMBL3980684

COCn1ncc2ccc(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.47
HTR2C P28335 6/20 0.47
HTR2B P41595 4/20 0.47
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
HTR1D P28221 1/20 0.42
HTR7 P34969 1/20 0.42
HTR4 Q13639 1/20 0.42
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3A P49840 1/20 0.39
LIMK1 P53667 1/20 0.39
IKBKE Q14164 1/20 0.39
MAPK14 Q16539 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL14909634 0.84 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL3777719 0.82 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL18031893 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31039602 0.81 HTR2A (0.45) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL217944 0.81 HTR2A (0.45) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL27611541 0.81 CHEK1 (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL29520376 0.81 KMO (0.55) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL29037804 0.81 KMO (0.55) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6069662 0.80 HTR2A (0.53) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL2144138 0.80 HTR2A (0.39) HTR2AHTR2CHTR2BHTR1AADRA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US claimed
WO-2009058924-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009058924-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US disclosed