SCHEMBL30360712

SCHEMBL30360712

NC[C@H]1OCCc2c(Cl)cccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.60
KEAP1 Q14145 1/20 0.47
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
TAAR1 Q96RJ0 2/20 0.40
KDM1A O60341 1/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL19812914 1.00 DRD1 (0.60) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL19812912 1.00 DRD1 (0.60) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL32670712 1.00 DRD1 (0.60) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL30360710 1.00 DRD1 (0.60) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL19813088 1.00 DRD1 (0.60) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL15319616 0.84 DRD1 (0.42) DRD1HTR2CHTR2AHTR2BADRA2A
SCHEMBL30360702 0.83 ADRA2A (0.57) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL19812997 0.83 ADRA2A (0.57) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL19813036 0.81 DRD1 (0.60) DRD1KEAP1HTR2CHTR2AHTR2B
SCHEMBL19812863 0.81 DRD1 (0.60) DRD1KEAP1HTR2CHTR2AHTR2B

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
CN-110088107-B Compounds, compositions and uses thereof 赛诺维信制药公司 2023-04-14 CN disclosed