SCHEMBL6026437

SCHEMBL6026437

C=CCN(CC=C)[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CPA1 P15085 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4263098 0.84
SCHEMBL9485759 0.81
SCHEMBL14719770 0.80 ALDH1A1 (0.31) ALDH1A1CPA1KDM4ELMNAHTT
SCHEMBL1449843 0.76
SCHEMBL9242372 0.76
SCHEMBL2254949 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7168258 0.72
Nitric Acid SCHEMBL28738486 0.72 CA5A (0.42) ALDH1A1CPA1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL2257252 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4558558 0.70 ALOX15 (0.40) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39265-E1 Heteroarylpiperidines, and their use as antipsychotics and analgetics AVENTIS PHARMACEUTICALS INC. (US) 2006-09-05 US claimed
EP-1280813-B1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES UNIV CARDIFF (GB) 2003-11-12 EP claimed
EP-1110954-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics Aventis Pharmaceuticals Inc. (US) 2001-06-27 EP claimed
EP-1052255-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics. Aventis Pharmaceuticals Inc. (US) 2000-11-15 EP claimed
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP claimed
EP-0542136-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP claimed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 WO claimed
EP-0207389-B1 PLANT GROWTH REGULATING AGENT BASF Aktiengesellschaft (DE) 1990-12-19 EP claimed
US-4430341-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-02-07 US claimed