SCHEMBL28069718

SCHEMBL28069718

O=CC1CCC(c2ccccc2)CCN1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HCRTR2 O43614 3/20 0.37
GRIN2B Q13224 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR6 P50406 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR3C1 P04150 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL27813615 0.86 SLC18A3 (0.48) SLC18A3SIGMAR1HPGDKMT2ASMN1; SMN2
SCHEMBL29164408 0.84 SLC18A3 (0.41) SLC18A3SIGMAR1HPGDKMT2ASMN1; SMN2
SCHEMBL27704415 0.76 HDAC2 (0.40) SLC18A3SIGMAR1
SCHEMBL10386998 0.74 SLC18A3 (0.48) SLC18A3SIGMAR1HPGDKMT2ASMN1; SMN2
SCHEMBL5913558 0.74 SLC18A3 (0.48) SLC18A3SIGMAR1HPGDKMT2ASMN1; SMN2
SCHEMBL17729975 0.74 SLC18A3 (0.48) SLC18A3SIGMAR1HPGDKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL19993841 0.72 SLC18A3 (0.47) SLC18A3SIGMAR1HPGDKMT2ASMN1; SMN2
SCHEMBL41763 0.72
SCHEMBL190417 0.72 SLC18A3 (0.67) SLC18A3SIGMAR1HPGDKMT2ASMN1; SMN2
SCHEMBL13471186 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109380229-A A kind of spring mulberry tree herbicide and preparation method thereof 张旭东 2019-02-26 CN claimed
CN-106835931-A A kind of small box girder bridge 孙英 2017-06-13 CN claimed
CN-105638668-A Weed killer for mulberry field 烟台顺隆化工科技有限公司 2016-06-08 CN claimed
CN-109380229-A A kind of spring mulberry tree herbicide and preparation method thereof 张旭东 2019-02-26 CN disclosed
CN-106835931-A A kind of small box girder bridge 孙英 2017-06-13 CN disclosed
CN-105638668-A Weed killer for mulberry field 烟台顺隆化工科技有限公司 2016-06-08 CN disclosed