SCHEMBL5706056

SCHEMBL5706056

CCN(CC)CCN(CCN(S)C(=O)Nc1ccc(N(CC)CC)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.48
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NOX1 Q9Y5S8 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MTOR P42345 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCL1 Q07820 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
SCHEMBL4107405 0.85 MCHR1 (0.60) MCHR1MEN1KMT2ANOX1NPC1
SCHEMBL4107371 0.85 EPHX2 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4120523 0.83 MCHR1 (0.53) MCHR1MEN1KMT2ANOX1NPC1
SCHEMBL4113680 0.82 MCHR1 (0.54) MCHR1MEN1KMT2AALDH1A1MTOR
SCHEMBL4118376 0.79 MCHR1 (0.66) MCHR1MEN1KMT2AALDH1A1THRB
SCHEMBL4118355 0.77 MEN1 (0.55) MCHR1MEN1KMT2ANOX1NPC1
SCHEMBL4114249 0.76 MCHR1 (0.59) MCHR1MEN1KMT2ANOX1NPC1
SCHEMBL4115328 0.75 MCHR1 (0.61) MCHR1MEN1KMT2ARAB9AALDH1A1
SCHEMBL4119645 0.74 MCHR1 (0.60) MCHR1MEN1KMT2AMAPTGAA
SCHEMBL4124390 0.74 MCHR1 (0.54) MCHR1MEN1KMT2AALDH1A1THRB

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
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO disclosed
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