SCHEMBL6161637

SCHEMBL6161637

NCCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
OPRM1 P35372 1/20 0.68
OPRD1 P41143 1/20 0.68
IGF1R P08069 1/20 0.58
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR7 P34969 1/20 0.52
ATM Q13315 2/20 0.51
CACNA2D1 P54289 1/20 0.51
CACNA1B Q00975 1/20 0.51
CACNB1 Q02641 1/20 0.51
CACNA1C Q13936 1/20 0.51
LMNA P02545 3/20 0.51
CYP2D6 P10635 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL7276991 0.83 KMT2A (0.73) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL10568220 0.83 KMT2A (0.73) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL7266954 0.81 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL10992721 0.81 MEN1 (1.00) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL11133461 0.81 KMT2A (0.72) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL16142173 0.80 ADRA2A (0.69) KMT2AMEN1IGF1RCYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL10990138 0.80 MEN1 (0.97) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL9123119 0.80 MEN1 (0.73) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL4249388 0.79 LMNA (0.60) KMT2AMEN1OPRM1OPRD1HTR1A
SCHEMBL7287223 0.79 KMT2A (0.62) KMT2AMEN1OPRM1OPRD1IGF1R

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-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 EP disclosed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 US disclosed
EP-1060163-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-12-20 EP disclosed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed