SCHEMBL7260967

SCHEMBL7260967

O=C1c2ccccc2C(=O)N1CCCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.67
ADRA1B P35368 1/20 0.64
SLC6A4 P31645 7/20 0.64
DRD2 P14416 6/20 0.64
HTR1A P08908 6/20 0.62
HTR7 P34969 5/20 0.62
HTR6 P50406 5/20 0.62
HTR2A P28223 4/20 0.62
DRD4 P21917 1/20 0.55
HTR2C P28335 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55

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 SCHEMBL7255426 0.99 ADRA1D (0.68) ADRA1DADRA1BSLC6A4DRD2HTR1A
SCHEMBL5730515 0.87 ADRA1D (0.69) ADRA1DSLC6A4DRD2HTR1AHTR7
Hydrochloric Acid SCHEMBL7261121 0.86 ADRA1D (0.70) ADRA1DSLC6A4DRD2HTR1AHTR7
SCHEMBL7260935 0.86 ADRA1D (0.71) ADRA1DSLC6A4DRD2HTR1AHTR7
Hydrochloric Acid SCHEMBL7256791 0.85 ADRA1D (0.72) ADRA1DSLC6A4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL7259962 0.85 ADRA1D (0.72) ADRA1DSLC6A4DRD2HTR7HTR2A
SCHEMBL9034357 0.85 DRD2 (0.60) ADRA1DADRA1BSLC6A4DRD2HTR1A
SCHEMBL6133590 0.85 ADRA1D (0.71) ADRA1DSLC6A4HTR7HTR2A
Hydrochloric Acid SCHEMBL7259035 0.84 ADRA1D (0.71) ADRA1DSLC6A4HTR7HTR2A
Hydrochloric Acid SCHEMBL7260113 0.82 ADRA1D (0.83) ADRA1DADRA1BSLC6A4DRD2HTR1A

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-6642228-B1 Treating ocular tension, carcinoma, sarcoma, tumentia, circulatory disease, or hypertension TORAY INDUSTRIES, INC. (JP) 2003-11-04 US disclosed
EP-1106605-A1 ALPHA1B-ADRENERGIC RECEPTOR ANTAGONISTS TORAY INDUSTRIES, INC. (JP) 2001-06-13 EP disclosed