SCHEMBL7950985

SCHEMBL7950985

CC(NC(=O)c1cc2c(N3CCN(C)CC3)cccc2[nH]1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
RCE1 Q9Y256 1/20 0.61
KDM4E B2RXH2 2/20 0.51
IMPDH2 P12268 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
AURKA O14965 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HRH4 Q9H3N8 5/20 0.44
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7950995 1.00 KMT2A (0.61) KMT2AMEN1RCE1KDM4EIMPDH2
SCHEMBL7950988 1.00 KMT2A (0.61) KMT2AMEN1RCE1KDM4EIMPDH2
SCHEMBL7943371 0.91 MEN1 (0.48) KMT2AMEN1RCE1KDM4EALDH1A1
SCHEMBL7951576 0.82 HRH4 (0.51) HRH4PYGLPYGMHTR1ADRD2
SCHEMBL7943360 0.81 HRH4 (0.56) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL7951552 0.80 DRD2 (0.53) KMT2AMEN1KDM4EIMPDH2ALDH1A1
SCHEMBL17149657 0.79 KMT2A (0.72) KMT2AMEN1RCE1KDM4EIMPDH2
SCHEMBL7950991 0.78 NPC1 (0.61) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL17149706 0.78 KMT2A (0.71) KMT2AMEN1RCE1KDM4EIMPDH2
SCHEMBL17149707 0.78 KMT2A (0.71) KMT2AMEN1RCE1KDM4EIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US claimed
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed