SCHEMBL29867656

SCHEMBL29867656

OCc1ccc2c(c1)CCNC2

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.55
PLAU P00749 1/20 0.54
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
PNMT P11086 5/20 0.48
CD44 P16070 1/20 0.48
MAOB P27338 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46

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
SCHEMBL120623 1.00 ASIC3 (0.55) ASIC3PLAUDRD2DRD3PNMT
Hydrochloric Acid SCHEMBL4789548 0.98 ASIC3 (0.53) ASIC3PLAUDRD2DRD3PNMT
SCHEMBL3240122 0.93 PNMT (0.55) DRD2DRD3PNMTCD44MAOB
Hydrochloric Acid SCHEMBL22465809 0.91 PNMT (0.53) DRD2DRD3PNMTCD44MAOB
SCHEMBL18766202 0.89 HTR2C (0.52) PLAUDRD2DRD3ADRA2AADRA2B
SCHEMBL1206291 0.84 HTR2A (0.40) PLAUDRD2DRD3PNMTADRA2A
SCHEMBL31514914 0.84 HTR2A (0.40) PLAUDRD2DRD3PNMTADRA2A
Hydrochloric Acid SCHEMBL3710885 0.82 HTR2A (0.39) PLAUDRD2DRD3PNMTADRA2A
SCHEMBL1696305 0.81 ASIC3 (0.55) ASIC3PLAUDRD2DRD3PNMT
SCHEMBL22542122 0.81 ASIC3 (0.55) ASIC3PLAUDRD2DRD3PNMT

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
EP-4320101-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2024-02-14 EP disclosed
CN-117412954-A Synthesis of rapamycin analog compounds 锐新医药公司 2024-01-16 CN disclosed
WO-2022216900-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2022-10-13 WO disclosed