SCHEMBL12794776

SCHEMBL12794776

NCCNCc1cccc(CCN)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.56
▸ MC5R P33032 2/20 0.56
▸ TAAR1 Q96RJ0 8/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ CHRM2 P08172 2/20 0.49
▸ MC3R P41968 1/20 0.49
▸ CXCR4 P61073 1/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ HTR2C P28335 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18575582 0.92 MC4R (0.63) MC4RMC5RCHRM2MC3RCXCR4
SCHEMBL29306550 0.87 MC4R (0.51) MC4RMC5RTAAR1CHRM2MC3R
SCHEMBL30219100 0.86 MC4R (0.58) MC4RMC5RCHRM2MC3RCXCR4
SCHEMBL16151774 0.84 MC4R (0.66) MC4RMC5RCHRM2MC3RCXCR4
SCHEMBL12972118 0.83 MC4R (0.54) MC4RMC5RCHRM2MC3RCXCR4
SCHEMBL659100 0.81 TAAR1 (0.70) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL16152208 0.81 CHRM2 (0.62) MC4RMC5RCHRM2MC3RCXCR4
SCHEMBL16136721 0.81 MC4R (0.62) MC4RMC5RCHRM2MC3RCXCR4
SCHEMBL28457115 0.81 MC4R (0.56) MC4RMC5RCHRM2MC3RCXCR4
SCHEMBL17770844 0.81 CHRM2 (0.62) MC4RMC5RCHRM2MC3RCXCR4

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
US-7905927-B2 Method for lightening and/or coloring human keratin fibers using a composition comprising an aminotrialkoxy silane or aminotrialkenyloxy silane compound and device L'OREAL, SA (FR) 2011-03-15 — — US disclosed
US-7905927-B2 Method for lightening and/or coloring human keratin fibers using a composition comprising an aminotrialkoxy silane or aminotrialkenyloxy silane compound and device L'OREAL, SA (FR) 2011-03-15 — — US disclosed
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