SCHEMBL5007901

SCHEMBL5007901

[CH2]CC(O)c1cnn(C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 7/20 0.33
ACSS2 Q9NR19 1/20 0.33
LPAR1 Q92633 2/20 0.31
KCNN4 O15554 2/20 0.31

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
SCHEMBL4205056 0.84 ACSS2 (0.31) ACSS2
SCHEMBL4202432 0.81 CNR1 (0.35) LPAR1
SCHEMBL3114368 0.77 GAA (0.34) ACSS2LPAR1
SCHEMBL3113554 0.72 KCNN4 (0.37) BCDIN3DACSS2LPAR1KCNN4
SCHEMBL17853170 0.71 KDM4C (0.42) LPAR1KCNN4
SCHEMBL6425423 0.71 HPGD (0.40)
SCHEMBL5148648 0.70 POLB (0.34) BCDIN3DACSS2LPAR1KCNN4
SCHEMBL5009200 0.70 KIF11 (0.33) KCNN4
SCHEMBL5009203 0.70
SCHEMBL6385917 0.70 NTRK1 (0.36) BCDIN3DLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO disclosed