SCHEMBL5956860

SCHEMBL5956860

C#Cc1ccc(NC(=O)N2C[C@H](OCC)C[C@@H]2C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.61
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BLM P54132 1/20 0.44
MAPT P10636 2/20 0.38
ACACB O00763 1/20 0.38
TP53 P04637 1/20 0.38
NAMPT P43490 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
SCHEMBL14286920 0.89 F10 (0.76) F10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14286939 0.89 F10 (0.76) F10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14286936 0.89 F10 (0.76) F10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5956909 0.87 F10 (0.81) F10POLBMAPT
SCHEMBL5956931 0.87 F10 (0.81) F10POLBMAPT
SCHEMBL5956923 0.85 F10 (0.57) F10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5956933 0.83 F10 (0.58) F10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5956996 0.82 F10 (0.54) F10
SCHEMBL3832172 0.80 F10 (0.64) F10POLB
SCHEMBL8272866 0.80 F10 (0.64) F10

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
EP-1633346-B1 PYRROLIDIN-1, 2- DICARBOXYLIC ACID- 1- (4- ETHINYL- PHENYL) - AMID|- 2- (PHENYL)- AMID| DERIVATIVE AS INHIBITORS OF COAGULATION FACTOR XA AND VIIA FOR THE TREATMENT OF THROMBOSIS MERCK PATENT GMBH (DE) 2006-08-23 EP claimed