SCHEMBL7169463

SCHEMBL7169463

CC(Nc1nccc(NCCc2c[nH]c3ccccc23)n1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.66
ADRA1D P25100 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
EIF2AK2 P19525 2/20 0.52
POLB P06746 1/20 0.50
SLC2A1 P11166 1/20 0.50
RAD52 P43351 1/20 0.50
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR6 P50406 2/20 0.47

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
SCHEMBL6166811 0.84 KMT2A (0.52) HTR7MKNK1MKNK2KMT2AMEN1
SCHEMBL6169123 0.84 KMT2A (0.52) HTR7MKNK1MKNK2KMT2AMEN1
SCHEMBL4375475 0.77 KMT2A (0.51) HTR7HTR2CKMT2AMEN1POLB
SCHEMBL2598587 0.77 KMT2A (0.62) HTR7MKNK1MKNK2KMT2AMEN1
SCHEMBL12520465 0.76 KMT2A (0.56) HTR7MKNK1MKNK2KMT2AMEN1
SCHEMBL15130901 0.75 KMT2A (0.74) KMT2AMEN1POLBSLC2A1RAD52
SCHEMBL25570805 0.75 KMT2A (0.74) KMT2AMEN1POLBSLC2A1RAD52
SCHEMBL30579418 0.75 CCNT1 (0.67) HTR7MKNK1MKNK2KMT2AMEN1
SCHEMBL34462772 0.74 HTR1A (0.57) HTR7MKNK1MKNK2KMT2AMEN1
SCHEMBL34462801 0.74 HTR1A (0.64) HTR7MKNK1MKNK2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed