SCHEMBL5956966

SCHEMBL5956966

C#Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KLKB1 P03952 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
SCHEMBL5956976 0.97 F10 (0.45) F10MEN1KMT2APOLBCYP3A4
SCHEMBL5956923 0.87 F10 (0.57) F10MEN1KMT2APOLBALDH1A1
SCHEMBL5956956 0.87 F10 (0.61) F10MEN1KMT2APOLBCYP3A4
SCHEMBL5956933 0.84 F10 (0.58) F10MEN1KMT2APOLBALDH1A1
SCHEMBL5956892 0.78 SMN1; SMN2 (0.45) F10KMT2APOLBLMNAKLKB1
SCHEMBL79079 0.77 F10 (0.52) F10MEN1KMT2APOLBCYP3A4
SCHEMBL5956913 0.77 F10 (0.54) F10MEN1KMT2ATSHR
SCHEMBL76950 0.76 F10 (0.77) F10POLB
SCHEMBL5956864 0.76 MEN1 (0.52) F10MEN1KMT2ACYP3A4CYP2C9
SCHEMBL5956960 0.76 F10 (0.65) F10MEN1KMT2A

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