Nylidrin

Nylidrin

SCHEMBL5697000

CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.Cl.[Cl-].[Cl-]

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Nylidrin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.68
ADRA1D P25100 2/20 0.68
ADRA1B P35368 2/20 0.68
BLM P54132 1/20 0.68
HIF1A Q16665 5/20 0.66
ADRB2 P07550 5/20 0.66
SLC6A2 P23975 4/20 0.66
OPRM1 P35372 4/20 0.66
LMNA P02545 4/20 0.66
SLC6A3 Q01959 3/20 0.66
CYP2D6 P10635 3/20 0.66
ADRA2A P08913 3/20 0.66
OPRK1 P41145 3/20 0.66
ADRB1 P08588 3/20 0.66
MAPK1 P28482 2/20 0.66
HTR1A P08908 2/20 0.66
DRD3 P35462 2/20 0.66
KCNH2 Q12809 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66

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
Nylidrin SCHEMBL364078 0.82 ADRA1A (1.00) ADRA1AADRA1DADRA1BBLMHIF1A
Nylidrin SCHEMBL15512520 0.81 HIF1A (0.95) ADRA1AADRA1DADRA1BBLMHIF1A
Nylidrin SCHEMBL3701975 0.81 HIF1A (1.00) ADRA1AADRA1DADRA1BBLMHIF1A
Nylidrin SCHEMBL159150 0.81 HIF1A (1.00) ADRA1AADRA1DADRA1BBLMHIF1A
Nylidrin SCHEMBL15517085 0.81 HIF1A (1.00) ADRA1AADRA1DADRA1BBLMHIF1A
Nylidrin SCHEMBL9352972 0.73 ADRA1A (0.71) ADRA1AADRA1DADRA1BBLMHIF1A
SCHEMBL17565768 0.72 SLC6A2 (0.80) ADRA1AADRA1DADRA1BBLMHIF1A
Nylidrin SCHEMBL4915449 0.71 ADRB2 (0.61) ADRA1AADRA1DADRA1BBLMHIF1A
Nylidrin SCHEMBL9653633 0.71 LMNA (0.56) ADRA1AADRA1DADRA1BBLMHIF1A
SCHEMBL29084637 0.70 TDP1 (0.77) ADRA1ABLMADRA2AALDH1A1

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-1680148-A1 HYDROGEL-CONTAINING MEDICAL ARTICLES AND METHODS OF USING AND MAKING THE SAME BIOARTIFICIAL GEL TECHNOLOGIES INC. (CA) 2006-07-19 EP disclosed
WO-2005037336-A1 HYDROGEL-CONTAINING MEDICAL ARTICLES AND METHODS OF USING AND MAKING THE SAME BIOARTIFICIAL GEL TECHNOLOGIES INC. (CA) 2005-04-28 WO disclosed