SCHEMBL5506640

SCHEMBL5506640

CC(C)(C)OC(=O)NCC1CCCC(C(=O)Nc2cccc3ccc(C#N)nc23)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
ACACB O00763 6/20 0.39
QPCT Q16769 1/20 0.37
ACACA Q13085 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DRD2 P14416 2/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
IRAK1 P51617 1/20 0.35
SRC P12931 1/20 0.34
NAMPT P43490 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL5432642 0.86 PLAU (0.41) PLAUACACBQPCTACACACNR1
SCHEMBL3581119 0.80 PLAU (0.43) PLAUSRC
SCHEMBL3581122 0.80 PLAU (0.43) PLAUSRC
SCHEMBL5427453 0.78 ACACB (0.40) ACACBQPCTACACACNR1CNR2
SCHEMBL5530317 0.74 KCNH2 (0.47) ACACBACACACNR1CNR2CKS1B
SCHEMBL5506645 0.73 KDM4E (0.41) ACACBACACACNR1CNR2DRD2
SCHEMBL5264985 0.73 MTNR1B (0.47) ACACBQPCTACACAIRAK1
SCHEMBL3576655 0.71 MEN1 (0.34) PLAUSRCPIM1PIM2
SCHEMBL5511359 0.70 CYP2C9 (0.43) IRAK1
SCHEMBL5439560 0.70 KCNH2 (0.48) ACACBACACACNR1CNR2

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-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed