SCHEMBL6767082

SCHEMBL6767082

[CH2]CCNN(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
RECQL P46063 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FAAH O00519 1/20 0.31
PHGDH O43175 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
SCHEMBL7974597 0.81 SIGMAR1 (0.41) HTTKMT2AMEN1LMNAL3MBTL1
SCHEMBL8861782 0.76 ALDH1A1 (0.41) HTTKMT2AMEN1LMNAL3MBTL1
SCHEMBL9806618 0.75 USP2 (0.40) HTTKMT2AMEN1LMNAL3MBTL1
SCHEMBL14797789 0.72 CYP3A4 (0.46) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL7805357 0.72 PLAAT3 (0.44) KMT2AMEN1L3MBTL1ALDH1A1KCNH2
SCHEMBL28125968 0.70 MEN1 (0.42) HTTKMT2AMEN1LMNAL3MBTL1
SCHEMBL95247 0.70 CA12 (0.47) HTTKMT2AMEN1CA12CA2
SCHEMBL10604431 0.69 HTT (0.47) HTTKMT2AMEN1LMNAMTNR1A
SCHEMBL2744596 0.69 RAB9A (0.44) HTTKMT2AMEN1LMNAL3MBTL1
SCHEMBL677668 0.67 LMNA (0.46) HTTKMT2AMEN1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677452-B1 PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE LION BIOSCIENCE AG (DE) 2004-01-13 US claimed
EP-1218343-A4 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-18 EP claimed
EP-1218343-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO claimed
US-6677452-B1 PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE LION BIOSCIENCE AG (DE) 2004-01-13 US disclosed
EP-1218343-A4 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-18 EP disclosed
EP-1218343-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP disclosed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO disclosed