SCHEMBL8025968

SCHEMBL8025968

c1cnn(SN2CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.30

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
SCHEMBL8524640 0.98 MGLL (0.33)
SCHEMBL7821507 0.68 FBP1 (0.37)
SCHEMBL25569 0.64
SCHEMBL6719067 0.64
SCHEMBL3203791 0.64
SCHEMBL24253772 0.64
SCHEMBL7711325 0.64
SCHEMBL10959852 0.63 MGLL (0.53)
SCHEMBL2375082 0.61
SCHEMBL5967475 0.61 SMPD3 (0.32) SMPD3

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
EP-0981539-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed