SCHEMBL7386166

SCHEMBL7386166

Fc1ccc(SCCCN2CC[CH]CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.60
DRD3 P35462 10/20 0.60
HTR1A P08908 9/20 0.60
HTR2A P28223 9/20 0.60
DRD1 P21728 5/20 0.60
DRD5 P21918 5/20 0.60
SIGMAR1 Q99720 2/20 0.60
HTR7 P34969 4/20 0.58
HTR2B P41595 3/20 0.58
HRH1 P35367 3/20 0.56
ADRA2C P18825 1/20 0.56
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HTR2C P28335 1/20 0.55
TMEM97 Q5BJF2 1/20 0.50
GRM2 Q14416 1/20 0.49
CCR3 P51677 6/20 0.48
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL7382543 0.95 DRD2 (0.56) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL7391693 0.94 DRD2 (0.54) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL7390119 0.83 GRIN2B (0.60) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL7387694 0.79 KDM4E (0.61) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL7389692 0.79 POLB (0.69) DRD2DRD3DRD1DRD5HRH1
SCHEMBL7427501 0.79 ALDH1A1 (0.61) KDM4E
SCHEMBL7387101 0.78 KDM4E (0.60) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL7383372 0.78 POLB (0.68) DRD2DRD3DRD1DRD5HRH1
SCHEMBL11870245 0.78 DRD2 (0.76) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL11866824 0.78 HTR1A (0.61) DRD2DRD3HTR1AHTR2ADRD1

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed