SCHEMBL9009573

SCHEMBL9009573

CC(C)C(C)(C)[Si](C)(C)OCCCc1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.37
IDO1 P14902 2/20 0.36
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
RIPK1 Q13546 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9566318 0.92 TAAR1 (0.39) TAAR1IDO1RIPK1CTSSCTSK
SCHEMBL9566221 0.85 TAAR1 (0.41) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL30667522 0.85 TAAR1 (0.41) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL9009571 0.83
SCHEMBL5378118 0.82 ADAMTS4 (0.33)
SCHEMBL9566191 0.78 TAAR1 (0.37) TAAR1IDO1RIPK1CTSSCTSK
SCHEMBL9718099 0.77 TAAR1 (0.36) TAAR1IDO1HTR2AHTR2CHTR2B
SCHEMBL6347925 0.76 TAAR1 (0.43) TAAR1IDO1RIPK1TSHR
SCHEMBL30271106 0.76 TAAR1 (0.43) TAAR1IDO1RIPK1TSHR
SCHEMBL9566323 0.76 SIGMAR1 (0.40) TAAR1IDO1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550248-A Substituted stryl heterocyclic amido prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1996-08-27 US disclosed
EP-0447188-B1 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases SQUIBB & SONS INC (US) 1995-06-28 EP disclosed
EP-0391652-B1 Interphenylène 7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease SQUIBB & SONS INC (US) 1995-03-15 EP disclosed
US-5290799-A 7-oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US disclosed
US-5238951-A Thromboxane receptor antagonist E. R. SQUIBB & SONS, INC. (US) 1993-08-24 US disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
EP-0497629-A1 Heterocyclic amido prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1992-08-05 EP disclosed
EP-0497085-A1 Heterocyclic ketone prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1992-08-05 EP disclosed
US-5135939-A HETEROCYCLIC KETONE PROSTAGLANDIN ANALOGS E. R. SQUIBB & SONS, INC. (US) 1992-08-04 US disclosed
US-5126370-A Anti-thrombotic heterocyclic amido prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1992-06-30 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0476994-A1 7-Oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1992-03-25 EP disclosed
EP-0447188-A2 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases E.R. SQUIBB & SONS, INC. (US) 1991-09-18 EP disclosed
US-4977174-A Anticoagulants, antischemic agents E. R. SQUIBB & SONS, INC. (US) 1990-12-11 US disclosed
EP-0391652-A1 Interphenylène 7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease E.R. SQUIBB & SONS, INC. (US) 1990-10-10 EP disclosed