SCHEMBL9653138

SCHEMBL9653138

CN1C(=O)CCc2c(OCCCl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
SIGMAR1 Q99720 1/20 0.38
HTR6 P50406 4/20 0.38
TRPV1 Q8NER1 3/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 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
SCHEMBL9652373 0.80 ALDH1A1 (0.48) HRH3SIGMAR1TRPV1HTR1AHTR1D
SCHEMBL11242151 0.79 DRD3 (0.44) HRH3HTR6
Hydrochloric Acid SCHEMBL11237380 0.78 DRD3 (0.43) HRH3HTR6
SCHEMBL11066548 0.78 DRD4 (0.60) HRH3SIGMAR1SLC6A4KCNH2
SCHEMBL10572119 0.77 HTR1A (0.57) HRH3SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL11063081 0.77 DRD4 (0.59) HRH3SIGMAR1SLC6A4KCNH2
SCHEMBL11066898 0.77 DRD2 (0.53) HRH3SIGMAR1TRPV1
SCHEMBL11724685 0.76 CYP1A2 (0.46) SIGMAR1HTR1ASLC6A4
SCHEMBL10569223 0.76 SIGMAR1 (0.56) SIGMAR1HTR1A
SCHEMBL10570155 0.76 HTR1A (0.57) HRH3SIGMAR1HTR1A

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-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed