SCHEMBL7078749

SCHEMBL7078749

COC(=O)c1ccc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
DRD2 P14416 2/20 0.46
ACACB O00763 6/20 0.43
ACACA Q13085 6/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
CHRM4 P08173 1/20 0.42
NEK1 Q96PY6 1/20 0.42
KDM1A O60341 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7081890 0.86 KCNA3 (0.46) CKS1BSKP1SKP2DRD2
SCHEMBL29263714 0.81 KDM4E (0.55) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL7464132 0.81 KDM4E (0.44) JAK2KDM4ECHRM4KDM1AHDAC6
SCHEMBL21615898 0.80 CKS1B (0.55) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL15693171 0.79 HRH3 (0.41) KDM4EHDAC6
SCHEMBL6949028 0.78 KDM4E (0.46) JAK2KDM4E
SCHEMBL23028550 0.77 CKS1B (0.47) CKS1BSKP1SKP2DRD2ACACB
Trifluoroacetic Acid SCHEMBL6949653 0.77 F11 (0.44) KDM4ECHRM4
SCHEMBL5232670 0.77 MAPK1 (0.48) KDM4E
SCHEMBL9733579 0.77 HRH3 (0.57) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed