SCHEMBL10836364

SCHEMBL10836364

O=C1CCc2cc(C(=O)CCCN(CCCl)CCCl)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HTR7 P34969 2/20 0.51
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
DRD2 P14416 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CRBN Q96SW2 5/20 0.44
SMYD3 Q9H7B4 2/20 0.43
GRIN2B Q13224 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL9165353 0.89 HTR1A (0.58) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL4851475 0.88 HTR1A (0.57) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL5467252 0.86 HTR1A (0.52) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL4859545 0.83 HDAC3 (0.57) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10838818 0.82 HTR1A (0.56) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10461840 0.81 HTR7 (0.55) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL8546755 0.81 AKR1C4 (0.49) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL1145012 0.81 ALDH1A1 (0.55) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10463736 0.80 HTR1A (0.54) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10495760 0.80 CRBN (0.47) HTR1AHTR2AHTR7DRD3DRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626532-A Process for stabilization of bacampicillin hydrochloride ASTRA LAKEMEDEL AKTIEBOAG (SE) 1986-12-02 US disclosed
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 US disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 US disclosed