SCHEMBL8311005

SCHEMBL8311005

Cc1c(C)c2c(c(C)c1N)CC(C)(C(C)N1CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
FKBP1A P62942 1/20 0.36
CASR P41180 1/20 0.35
CHRM4 P08173 1/20 0.34
CYP2C19 P33261 2/20 0.33
CCR5 P51681 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TPSAB1 Q15661 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6985201 0.84 EPHX2 (0.45) EPHX2ALDH1A1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL6978492 0.84 EPHX2 (0.45) EPHX2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8311013 0.83 EPHX2 (0.44) EPHX2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6975786 0.76 POLB (0.40) EPHX2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6984619 0.71 LMNA (0.42) ALDH1A1SMN1; SMN2LMNADRD2CCR5
SCHEMBL8310147 0.71
SCHEMBL6983077 0.69 SOS1 (0.39) MEN1KMT2ATPSAB1
Hydrochloric Acid SCHEMBL6984600 0.69 TPSAB1 (0.33) EPHX2TPSAB1
Hydrochloric Acid SCHEMBL6983934 0.68 SOS1 (0.39) MEN1KMT2ATPSAB1
SCHEMBL6983768 0.67 ACHE (0.35) TPSAB1

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-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed