Dimethylamine

Dimethylamine

SCHEMBL6943989

CC(=O)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1.CNC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
OPRK1 P41145 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPBWR1 P48145 2/20 0.38
MCHR1 Q99705 2/20 0.38
KMT2A Q03164 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9040592 0.90 ALDH1A1 (0.41) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL9040433 0.90 ALDH1A1 (0.41) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL9728223 0.88 DPP8 (0.46) NPBWR1MCHR1DPP8DPP9TDP1
SCHEMBL9119637 0.88 DPP8 (0.45) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8440008 0.86 ALDH1A1 (0.37) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8435956 0.86 PDK1 (0.45) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8435953 0.86 PDK1 (0.45) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8588093 0.86 PDK1 (0.45) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL9120984 0.86 OPRK1 (0.39) ALDH1A1OPRK1LMNANPBWR1MCHR1
SCHEMBL8434820 0.86 TDP1 (0.43) ALDH1A1HPGDMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed