SCHEMBL5956905

SCHEMBL5956905

C#Cc1ccc(NC(=O)N2C[C@H](OCC)C[C@H]2C(=O)Nc2ccc(-n3ccncc3=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.51
NAMPT P43490 6/20 0.33
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5956899 1.00 F10 (0.51) F10NAMPTTP53NPC1RAB9A
SCHEMBL75773 0.89 F10 (0.63) F10POLB
SCHEMBL5956996 0.88 F10 (0.54) F10
SCHEMBL76300 0.80 F10 (0.67) F10POLB
SCHEMBL5956860 0.80 F10 (0.61) F10NAMPTTP53POLB
SCHEMBL5956931 0.78 F10 (0.81) F10POLB
SCHEMBL5956909 0.78 F10 (0.81) F10POLB
SCHEMBL5956969 0.78 F10 (0.65) F10
SCHEMBL5956979 0.78 F10 (0.54) F10
SCHEMBL76504 0.76 F10 (0.67) 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