SCHEMBL7093511

SCHEMBL7093511

CC(NCc1ccccn1)NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 2/20 0.50
CHRM2 P08172 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL104954 0.88 MAOA (0.53) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12069840 0.85 ALDH1A1 (0.54) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21227150 0.85 ALDH1A1 (0.50) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL172334 0.83 POLB (0.60) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9005813 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12473521 0.82 KDM4E (0.54) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13995681 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13995298 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13995837 0.82 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12786223 0.82 KDM4E (0.54) MAOAMAOBALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653271-B2 Organic compound that forms a complex with a transition metal, such as N,N-bis(pyridin-2-yl-methyl)-1,1-bis(pyridin-2-yl)-1-aminoethane; free of peroxygen bleach or a peroxy-based or-generating bleach system. UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-11-25 US disclosed
US-20030045442-A1 Composition and method for bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-03-06 US disclosed
US-20020023303-A1 Method for reducing dye fading of fabrics in laundry bleaching compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-02-28 US disclosed
US-20020013246-A1 Composition and method for bleaching laundry fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-31 US disclosed
US-20020010121-A1 Bleaching and dye transfer inhibiting composition and method for laundry fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-24 US disclosed
US-6340661-B1 FOR BLEACHING FABRIC STAINS WITHOUT UNACCEPTABLE TRANSFER OF DYES BETWEEN FABRICS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-22 US disclosed