SCHEMBL11489088

SCHEMBL11489088

CCC(C)NCCC(C)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ AKT1 P31749 3/20 0.42
▸ HTT P42858 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HTR1A P08908 2/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 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
SCHEMBL11495474 0.87 MEN1 (0.41) MEN1KMT2ANPSR1HTTHPGD
SCHEMBL11489474 0.85 AKT1 (0.45) AKT1KDM4EHTR1AADRB2HTR7
SCHEMBL11492769 0.84 ALDH1A1 (0.38) KMT2AHTTHPGDSMN1; SMN2KDM4E
SCHEMBL11488016 0.81 AKT1 (0.41) MEN1KMT2AAKT1KDM4EADRB2
SCHEMBL11496377 0.80 SLC6A4 (0.45) AKT1ADRB2SLC6A2HTR2ASLC6A4
SCHEMBL11603164 0.79 AKT1 (0.40) MEN1KMT2AAKT1SMN1; SMN2ADRB2
SCHEMBL22957649 0.78 HTR1A (0.53) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL25671392 0.77 ADRB2 (0.46) AKT1HPGDGAAALDH1A1ADRB2
SCHEMBL11489175 0.77 SMN1; SMN2 (0.44) MEN1KMT2AAKT1SMN1; SMN2DRD2
SCHEMBL11489472 0.76 AKT1 (0.44) KMT2ANPSR1AKT1HPGDADRB2

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
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 — — US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 — — US disclosed
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