SCHEMBL13312286

SCHEMBL13312286

c1[nH]nc(NCCNc2n[nH]cc2C2CC2)c1C1CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL12952917 0.67
Hydrochloric Acid SCHEMBL3499731 0.61
SCHEMBL27003588 0.60 JAK2 (0.42)
SCHEMBL13901158 0.60 TDO2 (0.41)
SCHEMBL18652598 0.60 TDO2 (0.36)
SCHEMBL26505991 0.60 TDO2 (0.37)
SCHEMBL8111553 0.59 JAK2 (0.40)
SCHEMBL10071333 0.59 TDO2 (0.43)
SCHEMBL16600160 0.58 GABRA1 (0.47)
SCHEMBL16882354 0.57

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
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed