SCHEMBL4775864

SCHEMBL4775864

c1c[nH]c(CCNCc2ncc[nH]2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.59
TAAR1 Q96RJ0 6/20 0.49
PDCD1LG2 Q9BQ51 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
TBXAS1 P24557 2/20 0.42
FPR2 P25090 1/20 0.42
ALOX15 P16050 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
FDPS P14324 1/20 0.36
HTR1A P08908 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
SCHEMBL12807572 0.90 TERT (0.66) TERTTAAR1PDCD1LG2CD274TBXAS1
SCHEMBL369710 0.90 TAAR1 (0.53) TERTTAAR1TBXAS1FPR2ALOX15
SCHEMBL5355358 0.88 TAAR1 (0.52) TERTTAAR1TBXAS1FPR2ALOX15
SCHEMBL2474802 0.85 TAAR1 (0.57) TERTTAAR1TBXAS1FPR2ALOX15
SCHEMBL6638641 0.83 TAAR1 (0.57) TERTTAAR1PDCD1LG2CD274
SCHEMBL4985592 0.82 TAAR1 (0.47) TERTTAAR1TBXAS1FPR2ALOX15
SCHEMBL6225559 0.82 TAAR1 (0.47) TERTTAAR1PDCD1LG2CD274FPR2
SCHEMBL1971764 0.82 TAAR1 (0.47) TERTTAAR1TBXAS1FPR2ALOX15
SCHEMBL21290448 0.82 TERT (0.58) TERTTAAR1PDCD1LG2CD274TBXAS1
Ammonia Solution, Strong SCHEMBL28870904 0.81 TAAR1 (0.46) TERTTAAR1PDCD1LG2CD274TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed