SCHEMBL3669324

SCHEMBL3669324

CC(c1ccccc1)c1nc2c(c(=O)[nH]1)CCN(C(=O)O)CC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 7/20 0.42
DGAT2 Q96PD7 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
SPR P35270 3/20 0.37
HTR2C P28335 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
SCHEMBL1622336 0.86 SPR (0.44) MTHFD2TNKS2SPR
SCHEMBL1623370 0.82 CLPP (0.51)
SCHEMBL23972347 0.77 ROCK2 (0.43) MTHFD2LMNA
SCHEMBL23972348 0.76 CLPP (0.47) MTHFD2KMT2ALMNA
SCHEMBL23972242 0.76 HTR2C (0.47) TNKSTNKS2HTR2C
SCHEMBL21003097 0.75 ADORA2A (0.41) MTHFD2SPR
SCHEMBL3675829 0.74 PDE9A (0.45) MTHFD2TNKS2LMNASPRHTR2C
SCHEMBL3673639 0.72 MTHFD2 (0.44) MTHFD2DGAT2TNKSTNKS2KMT2A
SCHEMBL3736686 0.69 HTR2C (0.37) LMNAHTR2C
SCHEMBL3669330 0.67 HTR2C (0.52) TNKSTNKS2LMNAHTR2C

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
EP-2139896-A1 PYRIMIDO [4, 5-D]AZEPINE DERIVATIVES AS 5-HT2C AGONISTS Pfizer Limited (GB) 2010-01-06 EP disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 WO disclosed