SCHEMBL5504095

SCHEMBL5504095

CC(C)(C)OC(=O)N1CCC(N2CCN(CCCOCc3ccccc3)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.50
STS P08842 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GAA P10253 2/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
YAP1 P46937 1/20 0.42
ACKR3 P25106 2/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL19600932 0.81 HTT (0.49) STSGPR119JAK2JAK1KDM4E
SCHEMBL3779080 0.80 CHRM4 (0.56) STSGPR119KDM4EPKMTHRB
SCHEMBL25326370 0.80 TEAD3 (0.56) TEAD3STSKDM4EGAAMEN1
SCHEMBL119649 0.79 SMN1; SMN2 (0.58) STSGPR119JAK2JAK1KDM4E
SCHEMBL310136 0.79 SMN1; SMN2 (0.58) STSGPR119JAK2JAK1KDM4E
Hydrochloric Acid SCHEMBL3966170 0.79 CHRM4 (0.55) STSGPR119KDM4ETHRBSMN1; SMN2
SCHEMBL3251863 0.79 KDM4E (0.58) STSGPR119JAK2JAK1KDM4E
SCHEMBL31303428 0.78 STS (0.52) TEAD3STSGPR119JAK2JAK1
SCHEMBL13096781 0.78 STS (0.52) TEAD3STSGPR119JAK2JAK1
SCHEMBL5506815 0.78 RECQL (0.40) GPR119SMN1; SMN2EPHX2

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
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed