SCHEMBL8984763

SCHEMBL8984763

O=[C]N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.54
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
BCHE P06276 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
GFER P55789 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8007652 0.83 MAPT (0.61) GPR183KMT2AMEN1BCHEHTR2C
SCHEMBL9410731 0.83 GPR183 (0.56) GPR183KMT2AMEN1BCHEHTR2C
SCHEMBL9229969 0.82 HSD11B1 (0.62) GPR183KMT2AMEN1GFERATM
Hydrochloric Acid SCHEMBL7620223 0.82 MAPT (0.59) GPR183KMT2AMEN1BCHEHTR2C
SCHEMBL14198735 0.81 SLC6A4 (0.56) GPR183KMT2AMEN1BCHEHTR2C
SCHEMBL16578041 0.81 HSD11B1 (0.69) GPR183KMT2AMEN1SMN1; SMN2SIGMAR1
SCHEMBL18195121 0.80 GPR183 (0.53) GPR183KMT2AMEN1BCHEHTR2C
SCHEMBL8984809 0.75 KMT2A (0.64) KMT2AMEN1BCHEPKMRAB9A
SCHEMBL8984761 0.75 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL16002918 0.75 HDAC3 (0.55) GPR183KMT2AMEN1HDAC3HDAC1

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
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed