SCHEMBL8699599

SCHEMBL8699599

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC1(c2ccccc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
HCRTR1 O43613 1/20 0.63
FPR2 P25090 4/20 0.57
MAPT P10636 2/20 0.57
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FPR1 P21462 2/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL21001593 0.81 KMT2A (0.76) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL21001592 0.81 KMT2A (0.76) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL27703075 0.81 KMT2A (0.71) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL19051485 0.80 KMT2A (0.78) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL27846743 0.80 KMT2A (0.74) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL31520097 0.80 KMT2A (0.81) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL21001594 0.80 KMT2A (0.81) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL27846742 0.80 KMT2A (0.74) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL21001595 0.80 KMT2A (0.81) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL3184939 0.79 KMT2A (0.71) KMT2AMEN1HCRTR1MAPTNPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846942-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1998-12-08 US disclosed