SCHEMBL7784458

SCHEMBL7784458

CC(C)(C)OC(=O)N1CCC(N(OCc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
STS P08842 1/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
GPR119 Q8TDV5 6/20 0.51
PTPRB P23467 1/20 0.50
PTPN11 Q06124 1/20 0.50
USP30 Q70CQ3 2/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
YAP1 P46937 1/20 0.46
HSD11B1 P28845 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
SCHEMBL23249889 0.81 SMN1; SMN2 (0.58) MEN1KMT2AKDM4EPKMSTS
SCHEMBL3837667 0.80 MEN1 (0.61) MEN1KMT2AKDM4EPKMSTS
SCHEMBL652408 0.80 MEN1 (0.57) MEN1KMT2AKDM4EPKMSTS
SCHEMBL7421811 0.80 MEN1 (0.57) MEN1KMT2AKDM4EPKMSTS
SCHEMBL3012474 0.80 JAK2 (0.62) MEN1KMT2AKDM4EPKMSTS
SCHEMBL803663 0.80 JAK2 (0.54) MEN1KMT2AKDM4EPKMSTS
SCHEMBL2792425 0.79 MEN1 (0.60) MEN1KMT2AKDM4EPKMSTS
SCHEMBL618193 0.79 JAK2 (0.59) MEN1KMT2AKDM4EPKMSTS
SCHEMBL803527 0.79 JAK2 (0.74) MEN1KMT2AKDM4EPKMSTS
SCHEMBL2374261 0.79 SMN1; SMN2 (0.62) KMT2AKDM4EPKMSTSJAK2

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
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US disclosed