Butylamine

Butylamine

SCHEMBL9107548

CCCC(O)(c1ccccc1)c1ccccc1.CCCCN

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.53
SIGMAR1 Q99720 2/20 0.50
CHRM4 P08173 7/20 0.47
CHRM5 P08912 7/20 0.47
CHRM3 P20309 7/20 0.47
CHRM2 P08172 6/20 0.47
CHRM1 P11229 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BCL2 P10415 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
OPRM1 P35372 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
SCHEMBL4862217 0.87 SMN1; SMN2 (0.59) SIGMAR1CHRM4CHRM5CHRM3CHRM2
Tert-Butylamine SCHEMBL9008904 0.83 SMN1; SMN2 (0.52) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL11575079 0.83 KIF11 (0.69) KIF11SIGMAR1CHRM4CHRM5CHRM3
SCHEMBL5159643 0.83 SIGMAR1 (0.62) SIGMAR1CHRM4CHRM5CHRM3CHRM2
Hydrochloric Acid SCHEMBL10512222 0.81 CHRM4 (0.62) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL5100291 0.81 KIF11 (0.61) KIF11SIGMAR1CHRM4CHRM5CHRM3
SCHEMBL11413546 0.79 SIGMAR1 (0.64) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL5395161 0.79 SIGMAR1 (0.64) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL28270229 0.79 SIGMAR1 (0.64) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL5091996 0.79 KIF11 (0.59) KIF11SIGMAR1CHRM4CHRM5CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995010269-A1 TREATMENT OF URINARY INCONTINENCE AND OTHER DISORDERS WITH R-TERODILINE AND HYDROXYLATED DERIVATIVES THEREOF SEPRACOR, INC. (US) 1995-04-20 WO claimed
WO-1995010270-A1 METHOD FOR TREATING URINARY INCONTINENCE USING OPTICALLY PURE S-TERODILINE SEPRACOR, INC. (US) 1995-04-20 WO disclosed
WO-1995010269-A1 TREATMENT OF URINARY INCONTINENCE AND OTHER DISORDERS WITH R-TERODILINE AND HYDROXYLATED DERIVATIVES THEREOF SEPRACOR, INC. (US) 1995-04-20 WO disclosed