SCHEMBL825296

SCHEMBL825296

CCN1CCNCC(C)N(c2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.44
HTR2C P28335 6/20 0.40
GRM1 Q13255 2/20 0.40
HTR2A P28223 3/20 0.39
AVPR1A P37288 2/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2B P41595 1/20 0.38
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20129603 0.87 PLD1 (0.54) PLD1HTR2CGRM1HTR2AKCNH2
SCHEMBL20141500 0.87 PLD1 (0.54) PLD1HTR2CGRM1HTR2AKCNH2
SCHEMBL20129613 0.87 PLD1 (0.54) PLD1HTR2CGRM1HTR2AKCNH2
SCHEMBL30531432 0.87 PLD1 (0.54) PLD1HTR2CGRM1HTR2AKCNH2
Hydrochloric Acid SCHEMBL20141815 0.85 PLD1 (0.53) PLD1HTR2CGRM1HTR2AKCNH2
Hydrochloric Acid SCHEMBL20141813 0.85 PLD1 (0.53) PLD1HTR2CGRM1HTR2AKCNH2
SCHEMBL1331372 0.80 GRM1 (0.48) GRM1KCNH2CYP2C19KMT2ASMN1; SMN2
SCHEMBL20129704 0.75 PLD1 (0.50) PLD1HTR2CHTR2AHTR2BCYP2C19
SCHEMBL8145266 0.73 SLC6A2 (0.48) PLD1HTR2CHTR2AHTR2BCYP2C19
Dipyridyl SCHEMBL11217314 0.72 HTR7 (0.53) PLD1CYP2C19KMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582744-B1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INT BV (NL) 2014-03-26 EP disclosed
EP-2582744-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS Akzo Nobel Chemicals International B.V. (NL) 2013-04-24 EP disclosed
WO-2011157673-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-22 WO disclosed
EP-1259522-B1 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2003-09-10 EP disclosed
US-20020010120-A1 Composition and method for bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-24 US disclosed