SCHEMBL13355756

SCHEMBL13355756

C(CNCC1CCCN1)CNC[C@@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.36
SCN1A P35498 1/20 0.35
SCN9A Q15858 1/20 0.35
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL13620121 0.85 GNAI3 (0.54) ALDH1A1TSHRGNAI3GNAO1GNAI1
SCHEMBL10867271 0.84 CYP2D6 (0.44) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL19415302 0.83 IDO1 (0.35) SCN1ASCN9ACYP2D6MEN1ALDH1A1
SCHEMBL15372476 0.83 GNAI3 (0.36) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL4368185 0.83 GNAI3 (0.36) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL5046593 0.83 IKBKB (0.34) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL10927718 0.81 GNAI3 (0.50) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL21744733 0.81 CYP1A2 (0.39) SCN1ASCN9ACYP2D6MEN1ALDH1A1
SCHEMBL27353465 0.81 HRH4 (0.38) SCN1ASCN9ACYP2D6MEN1ALDH1A1
SCHEMBL88162 0.79 CYP2D6 (0.47) CYP2D6MEN1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454617-B1 HAIR BLEACH AND DYE COMPOSITIONS KAO CORP (JP) 2010-05-05 EP disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed