Methylamine

Methylamine

SCHEMBL8106673

CC(=O)S[C@H]1C[C@H](CC(C)O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1.CN

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ECE1 P42892 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8108029 0.87 ALDH1A1 (0.38) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8098394 0.87 CTSL (0.39) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8112112 0.87 CTSL (0.39) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10861401 0.87 ALDH1A1 (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL9368309 0.87 ALDH1A1 (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10368777 0.86 ATM (0.39) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10860914 0.85 ATM (0.36) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10862981 0.85 ATM (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL9039568 0.85 ATM (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10371377 0.85 ALDH1A1 (0.39) HTR2AATMALDH1A1MAPTHPGD

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
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed