SCHEMBL9003166

SCHEMBL9003166

O=P(O)(O)CCCCCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.57
FDPS P14324 2/20 0.54
LMNA P02545 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NAAA Q02083 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL9003192 0.98 FDPS (0.56) HRH1FDPSLMNAHRH3CYP1A2
SCHEMBL8752552 0.93 FDPS (0.57) HRH1FDPSLMNAHRH3CYP1A2
SCHEMBL932969 0.86 FDPS (0.61) HRH1FDPSLMNAHRH3CYP1A2
SCHEMBL2843489 0.82 HRH1 (0.80) HRH1LMNAHRH3CYP1A2CYP2C19
SCHEMBL659243 0.82 HRH1 (0.80) HRH1LMNAHRH3CYP1A2CYP2C19
SCHEMBL4418086 0.82 HRH1 (0.80) HRH1LMNAHRH3CYP1A2CYP2C19
SCHEMBL31040594 0.82 HRH1 (0.80) HRH1LMNAHRH3CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5827595 0.82 HRH1 (0.73) HRH1LMNAHRH3CYP1A2CYP2C19
SCHEMBL11734076 0.82 HRH1 (0.80) HRH1LMNAHRH3CYP1A2CYP2C19
SCHEMBL726512 0.80 HRH1 (0.76) HRH1LMNAHRH3CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353969-B1 Catalytic amidation process DU PONT (US) 1994-06-08 EP claimed
US-4912175-A Heating E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-27 US claimed
WO-1990001513-A1 CATALYTIC AMIDATION PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-22 WO claimed
EP-0353969-A1 Catalytic amidation process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP claimed
EP-0560933-B1 PROCESS FOR INCREASING THE RELATIVE VISCOSITY OF POLYAMIDES DU PONT (US) 1996-09-25 EP disclosed
EP-0353969-B1 Catalytic amidation process DU PONT (US) 1994-06-08 EP disclosed
EP-0560933-A1 PROCESS FOR INCREASING THE RELATIVE VISCOSITY OF POLYAMIDES. DU PONT (US) 1993-09-22 EP disclosed
WO-1992010526-A1 PROCESS FOR INCREASING THE RELATIVE VISCOSITY OF POLYAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
US-5116919-A Heating in presence of base and phosphonate catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-26 US disclosed
US-4912175-A Heating E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-27 US disclosed
WO-1990001513-A1 CATALYTIC AMIDATION PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-22 WO disclosed
EP-0353969-A1 Catalytic amidation process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed