SCHEMBL4775871

SCHEMBL4775871

NC(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
TAAR1 Q96RJ0 10/20 0.44
TERT O14746 1/20 0.41
FDPS P14324 1/20 0.39
TBXAS1 P24557 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL1971765 0.90 ALOX15 (0.41) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL1970139 0.90 ALOX15 (0.41) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL28494354 0.88 TXN (0.42) ALOX15TAAR1TERTHTR1A
Hydrochloric Acid SCHEMBL3949887 0.88 ALOX15 (0.40) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL9698098 0.88 ALOX15 (0.40) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL10654795 0.86
SCHEMBL24387815 0.85 SCN10A (0.46) ALOX15TAAR1TERTHTR1A
SCHEMBL9064597 0.85 TAAR1 (0.41) ALOX15TAAR1TERTHTR1A
Bromide SCHEMBL31612168 0.84 ALOX15 (0.44) ALOX15TAAR1TERTFDPSTBXAS1
Hydrochloric Acid SCHEMBL26965321 0.83 SCN10A (0.44) ALOX15TAAR1HTR1A

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