SCHEMBL14987993

SCHEMBL14987993

NCC(CC1CCCCC1)NC(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.49
CPB2 Q96IY4 1/20 0.45
HTT P42858 1/20 0.44
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.40
DPP4 P27487 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3599903 1.00 REN (0.49) RENCPB2HTTCTSSCTSL
SCHEMBL1867207 0.89 CTSS (0.54) RENCTSSCTSLSMN1; SMN2
SCHEMBL5509776 0.86 HTT (0.45) RENCPB2HTTCTSSCTSL
SCHEMBL5505421 0.86 HTT (0.45) RENCPB2HTTCTSSCTSL
SCHEMBL5503829 0.82 REN (0.52) REN
SCHEMBL5505794 0.82 REN (0.52) REN
SCHEMBL1866281 0.82 REN (0.52) REN
SCHEMBL1865703 0.82 REN (0.52) REN
SCHEMBL5509831 0.82 REN (0.52) REN
SCHEMBL3608717 0.81 KDM4E (0.44) RENHTTSMN1; SMN2

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
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed