Methylamine

Methylamine

SCHEMBL5161014

CN.CN(C)CC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.61
KCNH2 Q12809 4/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
SCN1A P35498 1/20 0.50
HTR2B P41595 1/20 0.50
SCN2A Q99250 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SCN3A Q9NY46 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3271106 0.98 HRH3 (0.64) HRH3KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL3277540 0.97 HRH3 (0.66) HRH3KCNH2MAPK1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3271362 0.96 HRH3 (0.65) HRH3KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL3271955 0.94 HRH3 (0.60) HRH3KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL3272214 0.92 HRH3 (0.57) HRH3KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL3270444 0.92 HRH3 (0.60) HRH3KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL3276000 0.92 HRH3 (0.56) HRH3
Methylamine SCHEMBL5161945 0.91 HRH3 (0.55) HRH3KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL3272560 0.90 HRH3 (0.55) HRH3KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL3272967 0.90 HRH3 (0.54) HRH3KCNH2MAPK1ALDH1A1CYP1A2

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-1747210-A1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS Warner-Lambert Company LLC (US) 2007-01-31 EP disclosed
WO-2005108384-A1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO disclosed