SCHEMBL2433490

SCHEMBL2433490

O=C(CCN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1nc2ccccc2s1)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.67
CSNK1D P48730 1/20 0.49
NCS1 P62166 1/20 0.49

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
SCHEMBL2429162 0.95 CASR (0.65) CASRCSNK1DNCS1
SCHEMBL2432147 0.91 CASR (0.78) CASR
SCHEMBL2462733 0.91 CASR (0.65) CASRCSNK1DNCS1
SCHEMBL125762 0.87 CASR (0.83) CASR
SCHEMBL2432635 0.87 CASR (0.64) CASRCSNK1DNCS1
SCHEMBL2430770 0.86 CASR (0.69) CASRCSNK1DNCS1
SCHEMBL2430639 0.86 CASR (0.65) CASR
SCHEMBL2435305 0.86 CASR (0.75) CASR
SCHEMBL2463138 0.86 CASR (0.60) CASRCSNK1DNCS1
SCHEMBL2429311 0.86 CASR (0.60) CASRCSNK1DNCS1

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-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed