SCHEMBL7438546

SCHEMBL7438546

O=C1C(CN2CCCCC2)CCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.53
HTR2B P41595 6/20 0.51
HTR2A P28223 5/20 0.51
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 4/20 0.48
HRH3 Q9Y5N1 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
OPRK1 P41145 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Hydrochloric Acid SCHEMBL7435018 0.99 HTR2C (0.52) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL467338 0.85 CHRNA7 (0.52) HTR2CHRH3
Hydrochloric Acid SCHEMBL8819343 0.84 CHRNA7 (0.51) HRH3
SCHEMBL7441143 0.81 HDAC1 (0.49) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6936516 0.78 CHRNA7 (0.50)
Hydrochloric Acid SCHEMBL7436828 0.74 DRD2 (0.56) HTR2AHRH3
SCHEMBL7818940 0.74 SLC6A2 (0.54) HTR2CSLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL11212875 0.73 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL29086032 0.71 SLC6A2 (0.48) HTR2CSLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL11870004 0.71 SLC6A2 (0.64) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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-5538985-A SIDE EFFECT REDUCTION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-23 US disclosed
EP-0668275-A1 Pyrrolidinone derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-08-23 EP disclosed