Butane

Butane

SCHEMBL12470969

CCCC.NC(=O)N1CCOCC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 4/20 0.49
LMNA P02545 3/20 0.49
RECQL P46063 1/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42

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
Ethylamine SCHEMBL15876246 0.91 HTT (0.52) HTTTSHRSMN1; SMN2POLBLMNA
SCHEMBL78979 0.89
Butyric Acid SCHEMBL2455921 0.87 FFAR3 (0.46) HTTTSHRSMN1; SMN2POLBLMNA
SCHEMBL27988207 0.86 CA12 (0.52) HTTTSHRSMN1; SMN2LMNAKDM4E
Hydrochloric Acid SCHEMBL1669235 0.86 CA12 (0.52) HTTTSHRSMN1; SMN2LMNAKDM4E
Diethylamine SCHEMBL11559788 0.86 HTT (0.56) HTTTSHRSMN1; SMN2POLBLMNA
Oxalic Acid SCHEMBL31346826 0.82 SMN1; SMN2 (0.48) HTTTSHRSMN1; SMN2LMNAKDM4E
Glycine SCHEMBL8830885 0.81 KDM4E (0.45) HTTTSHRSMN1; SMN2KDM4EL3MBTL1
SCHEMBL30526480 0.80 MEN1 (0.56) HTTTSHRSMN1; SMN2LMNAKDM4E
Formic Acid SCHEMBL30516049 0.80 SMN1; SMN2 (0.46) HTTTSHRSMN1; SMN2LMNAKDM4E

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
WO-2012104865-A1 N, N- DIALKYL -MORPHOLIN- 4 - CARBOXAMIDE COMPOUNDS AS INSECT REPELLING AGENTS AND A PROCESS FOR THEIR PREPARATION DIRECTOR GENERAL, DEFENCE RESEARCH & DEVELOPMENT ORGANISATION (DRDO) (IN) 2012-08-09 WO disclosed