SCHEMBL7475144

SCHEMBL7475144

CCOC(=O)CN(C(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 7/20 0.42
LMNA P02545 2/20 0.42
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42
ESRRA P11474 1/20 0.42
ESRRG P62508 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ESR2 Q92731 1/20 0.40
CCR8 P51685 1/20 0.40

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
SCHEMBL8663363 0.79 MAPT (0.51) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL24670765 0.79 KMT2A (0.60) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL7580016 0.76 USP2 (0.45) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL8462423 0.75 MAPT (0.47) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8662409 0.75 MAPT (0.54) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL29803554 0.74 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL24670882 0.74 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL7350120 0.73 MAPT (0.51) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8660500 0.73 KIT (0.49) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL5081454 0.72 NAMPT (0.65) SMN1; SMN2MEN1KMT2ACYP2C19HTT

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-0885205-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-0885205-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-23 EP disclosed
WO-1997031910-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-09-04 WO disclosed