SCHEMBL8569488

SCHEMBL8569488

CC(C)(C)OC(=O)N1CC2CCN(C(=O)OCc3ccccc3)C2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
USP30 Q70CQ3 1/20 0.50
GPR119 Q8TDV5 1/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3058464 0.96 CCR5 (0.51) CCR5JAK2JAK1USP30GPR119
SCHEMBL1586077 0.91 JAK2 (0.55) CCR5JAK2JAK1GPR119PDK1
SCHEMBL1586076 0.91 JAK2 (0.55) CCR5JAK2JAK1GPR119PDK1
SCHEMBL31229825 0.90 PARP1 (0.52) CCR5JAK2JAK1GPR119PDK1
SCHEMBL30923126 0.89 JAK2 (0.53) CCR5JAK2JAK1GPR119PDK1
SCHEMBL18452966 0.89 JAK2 (0.53) CCR5JAK2JAK1GPR119PDK1
SCHEMBL1991997 0.88 JAK2 (0.54) CCR5JAK2JAK1GPR119PDK1
SCHEMBL31288285 0.88 JAK2 (0.54) CCR5JAK2JAK1GPR119PDK1
SCHEMBL2408750 0.88 SMN1; SMN2 (0.52) CCR5NPC1RAB9ASMN1; SMN2
SCHEMBL2408749 0.88 SMN1; SMN2 (0.52) CCR5NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed