SCHEMBL7875704

SCHEMBL7875704

Cc1nsc(-c2ccc(N3CCNCC3)nn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.56
BPTF Q12830 5/20 0.47
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
ADRB1 P08588 2/20 0.41
HTR2C P28335 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL7875695 0.81 SCD (0.60) SCD
SCHEMBL7884700 0.76 SCD (0.52) SCDHTR3EHTR3BHTR3AHTR3D
SCHEMBL3217165 0.74 SCD (0.54) SCD
SCHEMBL7880012 0.74 MAPT (0.52) SCDHTR3EHTR3BHTR3AHTR3D
SCHEMBL15011912 0.73 SCD (1.00) SCD
SCHEMBL3224590 0.72 SCD (0.50) SCDKDM4EALDH1A1HSD17B10CNR2
SCHEMBL3224145 0.72 SCD (0.56) SCDCYP1A2CYP3A4HTR2A
SCHEMBL7880028 0.72 SCD (0.48) SCDCYP1A2CYP3A4CNR2
SCHEMBL15030147 0.72 SCD (1.00) SCD
SCHEMBL3225972 0.72 SCD (0.51) SCDCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876366-B1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA NV (BE) 2001-07-25 EP disclosed
US-5985878-A Angiogenesis inhibiting pyridazinamines JANSSEN PHARMACEUTICALS, N.V. (BE) 1999-11-16 US disclosed
EP-0876366-A2 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-11-11 EP disclosed
WO-1997026258-A1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-24 WO disclosed