Butane

Butane

SCHEMBL4074157

CCCC.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)Nc3ccc(CO[PH](=O)O)cc3)CC2)c1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.40
SSTR1 P30872 1/20 0.40
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ICMT O60725 1/20 0.35
ALB P02768 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
Butane SCHEMBL4081062 0.91 SIGMAR1 (0.39) SSTR4SSTR1KMT2AMEN1ALDH1A1
Butane SCHEMBL4074088 0.87 MEN1 (0.38) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL209344 0.83 ALDH1A1 (0.42) SSTR4SSTR1KMT2AMEN1GAA
SCHEMBL5161290 0.83 SSTR4 (0.42) SSTR4SSTR1KMT2AMEN1GAA
SCHEMBL206628 0.82 SSTR4 (0.42) SSTR4SSTR1KMT2AMEN1GAA
SCHEMBL4074159 0.82 SSTR4 (0.39) SSTR4SSTR1KMT2AMEN1MAPT
SCHEMBL205833 0.77 KMT2A (0.53) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL206665 0.76 SSTR4 (0.45) SSTR4SSTR1KMT2AMEN1MAPT
SCHEMBL5157976 0.76 SSTR4 (0.45) SSTR4SSTR1KMT2AMEN1NPC1
SCHEMBL2987319 0.75 MEN1 (0.47) SSTR4SSTR1KMT2AMEN1

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-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed