SCHEMBL29097883

SCHEMBL29097883

Fc1cc(Cl)ccc1Nc1ccc2c(c1)CNCC2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 4/20 0.59
▸ BPTF Q12830 2/20 0.51
▸ SLC2A1 P11166 1/20 0.48
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ MELK Q14680 1/20 0.46
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ AXL P30530 2/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ MERTK Q12866 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40

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
SCHEMBL30199093 1.00 PNMT (0.59) PNMTBPTFSLC2A1HTR2AHTR2C
SCHEMBL29098005 0.79 PNMT (0.55) PNMTBPTFSLC2A1HTR2AHTR2C
SCHEMBL30200120 0.79 PNMT (0.55) PNMTBPTFSLC2A1HTR2AHTR2C
SCHEMBL29587836 0.76 PNMT (1.00) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL329775 0.76 PNMT (1.00) PNMTHTR2AHTR2CHTR2BADRA2A
Hydrochloric Acid SCHEMBL1124954 0.75 PNMT (0.96) PNMTSLC2A1HTR2AHTR2CHTR2B
SCHEMBL655463 0.73 AXL (0.49) BPTFAXLTYRO3MERTK
SCHEMBL29097884 0.71 TAS1R3 (0.46) KMT2A
SCHEMBL532012 0.69 PNMT (0.85) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL13315765 0.69 PNMT (0.55) PNMTMELKADRA2AADRA2BADRA2C

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-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 — — CN disclosed
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