SCHEMBL10974768

SCHEMBL10974768

O=CC(N1CCN(CCO)CC1)n1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.47
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ HTR1A P08908 4/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ NPY5R Q15761 2/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ CYP2C19 P33261 2/20 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
SCHEMBL8894960 0.88 TMEM97 (0.49) TMEM97DRD2DRD4SIGMAR1HTR1A
SCHEMBL11403161 0.87 TMEM97 (0.45) TMEM97DRD2DRD4SIGMAR1HTR1A
SCHEMBL8902245 0.85 TMEM97 (0.47) TMEM97DRD2DRD4SIGMAR1HTR1A
SCHEMBL11442653 0.83 SIGMAR1 (0.34) TMEM97SIGMAR1ALDH1A1HPGDHSD17B10
SCHEMBL10483050 0.83 TMEM97 (0.32) TMEM97CYP2D6LMNAALDH1A1HPGD
SCHEMBL10724198 0.83 TMEM97 (0.41) TMEM97DRD2DRD4SIGMAR1NPY5R
Hydrochloric Acid SCHEMBL10721606 0.82 TMEM97 (0.40) TMEM97SIGMAR1NPY5R
SCHEMBL10656985 0.81 TMEM97 (0.40) TMEM97NPY5R
SCHEMBL10720127 0.81 TMEM97 (0.40) TMEM97SIGMAR1NPY5R
SCHEMBL10724191 0.81 TMEM97 (0.41) TMEM97SIGMAR1HTR1AHTR7NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58052281-A — — None — — JP disclosed
JP-57165381-A — — None — — JP disclosed
JP-57118576-A — — None — — JP disclosed
JP-60228468-A — — None — — JP disclosed
JP-56020582-A — — None — — JP disclosed
JP-55100373-A — — None — — JP disclosed
JP-55000345-A — — None — — JP disclosed
JP-S60228468-A 1,2-BIS(2-OXO-3-BENZOTHIAZOLINYL)ETHANONE AND PREPARATION THEREOF ARAKAWA CHIYOUTAROU KK 1985-11-13 — — JP disclosed
JP-S5852281-A BENZOTHIAZOLINONE DERIVATIVE AND ITS PREPARATION SHIONO KORYO KK 1983-03-28 — — JP disclosed
JP-S57165381-A NOVEL PIPERAZING DERIVATIVE AND ITS PREPARATION KANO SHINZO 1982-10-12 — — JP disclosed
JP-S57118576-A PREPARATION OF 5-CHLORO-3-(4-(2-HYDROXYETHYL)-1- PIPERAZINYL)-CARBONYLMETHYL-2-BENZOTHIAZOLINONE OR SALT THEREOF HAMARI YAKUHIN KOGYO KK 1982-07-23 — — JP disclosed
JP-S5620582-A NOVEL 2-BENZOTHIAZOLINONE DERIVATIVE AND ITS PREPARATION HAMARI YAKUHIN KOGYO KK 1981-02-26 — — JP disclosed
JP-S55100373-A PREPARATION OF ACID AMIDE SHIONO KORYO KK 1980-07-31 — — JP disclosed
JP-S55345-A 2-IMINOBENZTHIAZOLINE DERIVATIVE IWAKI SEIYAKU KK 1980-01-05 — — JP disclosed
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