SCHEMBL30281158

SCHEMBL30281158

O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccc(Br)cc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.73
AVPR1A P37288 1/20 0.53
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
DRD2 P14416 1/20 0.49

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
SCHEMBL12488997 1.00 SIGMAR1 (0.73) SIGMAR1AVPR1AGRIN2DGRIN3BGRIN1
SCHEMBL4216497 0.86 SIGMAR1 (0.74) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2359969 0.85 SIGMAR1 (0.73) SIGMAR1AVPR1AGRIN2DGRIN3BGRIN1
SCHEMBL747866 0.84 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6314091 0.83 SIGMAR1 (0.97) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL20955046 0.81 SIGMAR1 (0.67) SIGMAR1AVPR1AGRIN2DGRIN3BGRIN1
SCHEMBL3839594 0.79 AVPR1A (0.60) SIGMAR1AVPR1ADRD2
SCHEMBL4214518 0.79 SIGMAR1 (0.74) SIGMAR1AVPR1AGRIN2DGRIN3BGRIN1
SCHEMBL16836276 0.79 SIGMAR1 (0.66) SIGMAR1AVPR1AGRIN2DGRIN3BGRIN1
SCHEMBL11831890 0.79 SIGMAR1 (0.66) SIGMAR1AVPR1A

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
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed