SCHEMBL30360682

SCHEMBL30360682

NC[C@H]1OCCc2ccc3c(c21)OCO3

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
KEAP1 Q14145 1/20 0.38
DRD1 P21728 5/20 0.36
DRD2 P14416 2/20 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
SCHEMBL30360711 1.00 TAAR1 (0.43) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL32670720 1.00 TAAR1 (0.43) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19813055 1.00 TAAR1 (0.43) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19813086 1.00 TAAR1 (0.43) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19813056 1.00 TAAR1 (0.43) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31071012 0.90 TAAR1 (0.44) TAAR1MTNR1AMTNR1BKEAP1DRD1
SCHEMBL19821165 0.83 MTNR1A (0.46) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19812782 0.82 TAAR1 (0.47) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19812780 0.82 TAAR1 (0.47) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL32670725 0.82 TAAR1 (0.47) TAAR1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514761-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-08-01 CN disclosed
CN-116283877-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-06-23 CN disclosed
CN-110088107-B Compounds, compositions and uses thereof 赛诺维信制药公司 2023-04-14 CN disclosed