SCHEMBL8465860

SCHEMBL8465860

ClCC(OC(CCl)c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
CYP2A6 P11509 1/20 0.36
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.32
IDO1 P14902 2/20 0.32
PYCR1 P32322 1/20 0.32
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL6201559 0.78 SLC6A4 (0.35) HTR2ASLC6A4SLC6A2CHRM2HTR1A
SCHEMBL28893556 0.77 SLC6A4 (0.39) HTR2ACYP2A6SLC6A4SLC6A2CHRM2
SCHEMBL29074535 0.77 ESR1 (0.41) SLC6A2CHRM2HTR1ACHRM1DRD1
SCHEMBL135683 0.76 TSHR (0.42) HTR2ASLC6A4
SCHEMBL28858474 0.71 HTR2A (0.40) HTR2ACYP2A6CYP1A2PYCR1KMT2A
SCHEMBL5663718 0.71 PYCR1 (0.35) HTR2ASLC6A4SLC6A2CHRM2HTR1A
SCHEMBL5661474 0.71 PYCR1 (0.35) HTR2ASLC6A4SLC6A2CHRM2HTR1A
SCHEMBL3156926 0.71 ALDH1A1 (0.38) HTR2ASLC6A4SLC6A2CHRM2HTR1A
SCHEMBL5661479 0.71 PYCR1 (0.35) HTR2ASLC6A4SLC6A2CHRM2HTR1A
SCHEMBL25159737 0.70 IGF1R (0.45) HTR2ACYP2A6CYP1A2KMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886024-A ENZYME INHIBITOR FOR TREATING ARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5886022-A TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5886043-A ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5874473-A OSTEOPOROSIS; ANTIARTHRITIC AGENTS BAYER CORPORATION (US) 1999-02-23 US disclosed
US-5861428-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, INFLAMMATION, OSTEOPENIAS, TEMPERO BAYER CORPORATION (US) 1999-01-19 US disclosed
US-5861427-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, CONDITIONS LEADING TO INFLAMMATORY BAYER HEALTHCARE LLC 1999-01-19 US disclosed
US-5859047-A ANTIARTHRITIC AGENTS, NERVOUS SYSTEM DISORDERS BAYER CORPORATION (US) 1999-01-12 US disclosed
US-5854277-A Thiophenebutanoic acid derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 1998-12-29 US disclosed