SCHEMBL11209018

SCHEMBL11209018

CN1CCC(OC(=O)C(c2noc3ccccc23)C2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CHRM3 P20309 7/20 0.41
CHRM4 P08173 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
SCN1A P35498 4/20 0.39
SCN2A Q99250 4/20 0.39
SCN3A Q9NY46 4/20 0.39
CYP2D6 P10635 1/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL11207995 0.86 HIF1A (0.43) HIF1AMEN1KMT2ATSHRCHRM3
SCHEMBL11207790 0.86 HTR1F (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL10919126 0.84 MEN1 (0.40) HIF1AMEN1KMT2AALDH1A1HTT
SCHEMBL10920458 0.84 MEN1 (0.40) HIF1AMEN1KMT2AALDH1A1HTT
Oxalic Acid SCHEMBL11210539 0.84 HTR1F (0.38) MEN1KMT2AALDH1A1HTTMAPT
Bromide SCHEMBL10916192 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1HTTMAPT
Bromide SCHEMBL11206144 0.82 HIF1A (0.39) HIF1AMEN1KMT2AALDH1A1MAPT
Oxalic Acid SCHEMBL10919934 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL11210963 0.81 HIF1A (0.52) HIF1AMEN1KMT2AMAPTCHRM3
SCHEMBL11208204 0.80 SCN1A (0.44) MEN1KMT2AALDH1A1CHRM3CHRM4

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-0094833-A2 Novel 1,2-benzisoxazole derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1983-11-23 EP disclosed