Butane

Butane

SCHEMBL7089633

CCCC.N#CP(=O)(O)O.O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN(C(=O)O)CC2

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MCHR1 Q99705 2/20 0.45
MCHR2 Q969V1 1/20 0.45
CACNA1G O43497 2/20 0.43
OPRM1 P35372 1/20 0.42
CCR3 P51677 1/20 0.42
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7089635 0.89 DRD4 (0.46) DRD4SMN1; SMN2LMNAMCHR1MCHR2
SCHEMBL5577910 0.89 MCHR2 (0.53) DRD4SMN1; SMN2LMNAMCHR1MCHR2
SCHEMBL6807533 0.79 MAPK14 (0.53) DRD4SMN1; SMN2LMNAMCHR1MCHR2
Hydrochloric Acid SCHEMBL5578415 0.77 ACHE (0.57) DRD4SMN1; SMN2LMNAMCHR1MCHR2
Hydrochloric Acid SCHEMBL7087753 0.74 MAPK14 (0.49) DRD4SMN1; SMN2LMNAMCHR1MCHR2
SCHEMBL1980829 0.73 HDAC6 (0.53) SMN1; SMN2NAMPTKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5578392 0.72 ACHE (0.60) DRD4SMN1; SMN2LMNAMCHR1MCHR2
SCHEMBL27014528 0.71 CCR3 (0.70) DRD4SMN1; SMN2LMNAMCHR1MCHR2
SCHEMBL24076570 0.70 SLC6A2 (0.66) DRD4MCHR1MCHR2MAPT
SCHEMBL30389820 0.70 SLC6A2 (0.66) DRD4MCHR1MCHR2MAPT

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-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed