SCHEMBL30133713

SCHEMBL30133713

COc1cc2c(cn1)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNA2 Q15822 1/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ASIC3 Q9UHC3 2/20 0.40
CD274 Q9NZQ7 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PNMT P11086 1/20 0.37
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL587771 1.00 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A
SCHEMBL21326130 0.93 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A
Hydrochloric Acid SCHEMBL25324792 0.92 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA4CHRNA2DRD2
SCHEMBL29640882 0.85 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL10067119 0.77 ASIC3 (0.43) HTR2CHTR2BASIC3DRD2DRD3
SCHEMBL7238336 0.76 NOS3 (0.50) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A
SCHEMBL27884524 0.76 NOS3 (0.45) CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL17892754 0.74 RYR2 (0.56) CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL1721036 0.74 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA4CHRNA2DRD2
SCHEMBL3034518 0.74 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A

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-115605475-B Immunosuppressant, preparation method and application thereof 上海和誉生物医药科技有限公司 2025-03-25 CN disclosed
CN-115605475-A Immunosuppressant, preparation method and application thereof 上海和誉生物医药科技有限公司(CN) 2023-01-13 CN disclosed