N-Benzylmethylamine

N-Benzylmethylamine

SCHEMBL5796449

CNCc1ccccc1.O=C(O)c1nnn(Cc2cccc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
PTGER4 P35408 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 2/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 3/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
P2RY14 Q15391 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4638473 0.83 ALDH1A1 (0.65) POLBPTGER4SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL4638668 0.82 POLB (0.51) POLBPTGER4SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL6072189 0.80 CYP19A1 (0.48) POLBPTGER4SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL4707735 0.79 TACR1 (0.52) PTGER4CYP19A1ALDH1A1GAATP53
SCHEMBL4707976 0.76 CYP19A1 (0.57) POLBSMN1; SMN2CYP19A1ALDH1A1GAA
SCHEMBL9912521 0.76 POLB (0.58) POLBPTGER4ALDH1A1GAAAKR1C3
SCHEMBL4706776 0.76 ALDH1A1 (0.54) POLBPTGER4SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL4637730 0.75 MAPT (0.50) POLBPTGER4SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL6072058 0.75 ALDH1A1 (0.53) POLBPTGER4CYP19A1ALDH1A1GAA
SCHEMBL4637749 0.75 ALDH1A1 (0.53) POLBSMN1; SMN2CYP19A1ALDH1A1GAA

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-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed