SCHEMBL5355358

SCHEMBL5355358

c1c[nH]c(CNCCNCCNCc2ncc[nH]2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.52
TERT O14746 1/20 0.48
FPR2 P25090 1/20 0.44
ALOX15 P16050 1/20 0.44
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
FDPS P14324 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
TBXAS1 P24557 2/20 0.37
HTR1A P08908 1/20 0.37
CXCR4 P61073 1/20 0.35

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
SCHEMBL369710 0.98 TAAR1 (0.53) TAAR1TERTFPR2ALOX15KLK1
SCHEMBL2474802 0.89 TAAR1 (0.57) TAAR1TERTFPR2ALOX15KLK1
SCHEMBL4775864 0.88 TERT (0.59) TAAR1TERTFPR2ALOX15KLK1
SCHEMBL1971764 0.86 TAAR1 (0.47) TAAR1TERTFPR2ALOX15KLK1
SCHEMBL6225559 0.86 TAAR1 (0.47) TAAR1TERTFPR2ALOX15KLK1
SCHEMBL4985592 0.86 TAAR1 (0.47) TAAR1TERTFPR2ALOX15KLK1
Ammonia Solution, Strong SCHEMBL28870904 0.84 TAAR1 (0.46) TAAR1TERTFPR2ALOX15KLK1
SCHEMBL846495 0.81 TAAR1 (0.44) TAAR1TERTFPR2ALOX15KLK1
SCHEMBL10903413 0.81 CXCR4 (0.46) TAAR1TERTFPR2ALOX15HTR1A
SCHEMBL1040322 0.81

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
US-7291692-B2 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050096452-A1 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
WO-1988006641-A1 POLYALKYLAMINE COMPLEXES FOR LIGAND EXTRACTION AND GENERATION AQUANAUTICS CORPORATION (US) 1988-09-07 WO disclosed