SCHEMBL29135308

SCHEMBL29135308

COc1ccccc1-c1ccc2c(c1)CCCN(C(C)c1ccccc1F)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.43
▸ PTPRC P08575 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ HIF1A Q16665 1/20 0.39
▸ DRD2 P14416 4/20 0.38
▸ DRD4 P21917 4/20 0.38
▸ DRD3 P35462 4/20 0.38
▸ GPR84 Q9NQS5 2/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CHEK1 O14757 1/20 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
SCHEMBL29135316 0.83 HRH3 (0.42) HRH3PTPRCALOX5APFEN1MEN1
SCHEMBL29135318 0.83 HRH3 (0.55) HRH3PTPRCPTPN1CYP11B1CYP11B2
SCHEMBL29135310 0.81 SLC11A2 (0.42) HRH3DRD2DRD4DRD3GPR84
SCHEMBL29135319 0.80 HRH3 (0.47) HRH3MEN1KMT2A
SCHEMBL29135312 0.79 TMEM97 (0.41) HRH3DRD4DRD3GPR84CYP11B1
SCHEMBL29135321 0.78 HRH3 (0.44) HRH3HIF1AALOX5APFEN1DHODH
SCHEMBL29135320 0.78 HRH3 (0.44) HRH3PTPRCPTPN1ALOX5APFEN1
SCHEMBL28836300 0.76 HRH3 (0.54) HRH3DRD2DRD4DRD3
SCHEMBL29135306 0.76 HRH3 (0.47) HRH3DRD2DRD4DRD3CYP11B2
SCHEMBL29135311 0.74 DRD2 (0.44) HRH3DRD2DRD4DRD3MEN1

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-114989085-B Aryl lactam ring compound, pharmaceutical composition and application thereof 安徽医科大学 2023-11-24 — — CN disclosed
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