SCHEMBL7123795

SCHEMBL7123795

NC(N)(CCc1ccccn1)Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
CYP1A2 P05177 4/20 0.46
HRH3 Q9Y5N1 2/20 0.46
FDPS P14324 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL29572945 0.84 HRH1 (0.44) HRH1CYP1A2HRH3FDPSALDH1A1
SCHEMBL231091 0.82 FDPS (0.56) HRH1FDPSALDH1A1L3MBTL1MAOA
Hydrazine SCHEMBL16163816 0.81 HRH1 (0.55) HRH1CYP1A2HRH3FDPSALDH1A1
SCHEMBL7760617 0.81 HRH1 (0.53) HRH1CYP1A2HRH3FDPSALDH1A1
SCHEMBL29631825 0.79 HRH1 (0.57) HRH1CYP1A2HRH3ALDH1A1LMNA
SCHEMBL12803074 0.79 HRH1 (0.57) HRH1CYP1A2HRH3ALDH1A1LMNA
Bromide SCHEMBL28620601 0.79 FDPS (0.53) HRH1FDPSALDH1A1L3MBTL1MAOA
SCHEMBL31312939 0.78 HRH1 (0.54) HRH1HRH3FDPSALDH1A1LMNA
SCHEMBL5671888 0.76 HRH1 (0.53) HRH1CYP1A2HRH3ALDH1A1LMNA
SCHEMBL230753 0.75 HRH1 (0.73) HRH1CYP1A2HRH3ALDH1A1LMNA

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
EP-1268731-B1 BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION AND METHOD FOR STAIN BLEACHING OF LAUNDRY FABRICS UNILEVER PLC (GB) 2003-12-17 EP 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