SCHEMBL25638011

SCHEMBL25638011

CC(C)CCCN1CCN(c2ccc(CCCOC(C)C)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 9/20 0.48
▸ DRD2 P14416 8/20 0.48
▸ HTR1A P08908 7/20 0.48
▸ DRD4 P21917 6/20 0.48
▸ HTR2A P28223 6/20 0.48
▸ HTR7 P34969 5/20 0.48
▸ DRD1 P21728 4/20 0.48
▸ DRD5 P21918 4/20 0.48
▸ HTR2C P28335 3/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ POLB P06746 1/20 0.41
▸ ADRA2C P18825 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ RET P07949 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.37
▸ HRH3 Q9Y5N1 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
SCHEMBL21477154 0.90 DRD3 (0.49) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL20230946 0.77 DRD3 (0.52) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL20128867 0.73 DRD3 (0.48) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL11932478 0.73 DRD4 (0.53) DRD3DRD2DRD4HTR7DRD1
SCHEMBL21455986 0.73 HRH3 (0.47) HRH3
SCHEMBL21421582 0.71 HRH3 (0.49) DRD3DRD2DRD1DRD5ALDH1A1
SCHEMBL21421553 0.71 AOC3 (0.37) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL26693415 0.70 GBA1 (0.35) ALDH1A1HRH3
SCHEMBL21421592 0.70 SMN1; SMN2 (0.37) SLC6A4SIGMAR1ALDH1A1
SCHEMBL20365422 0.69 RET (0.47) DRD3DRD2HTR1ADRD4HTR2A

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
WO-2023097251-A1 OLIGONUCLEOTIDE-CONTAINING TRANSCRIPTION FACTOR TARGETING CHIMERAS YALE UNIVERSITY (US) 2023-06-01 — — WO disclosed
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