SCHEMBL10855374

SCHEMBL10855374

Clc1c(Cc2ncc[nH]2)sc2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 8/20 0.40
▸ ADRA2A P08913 3/20 0.35
▸ ADRA2B P18089 3/20 0.35
▸ ADRA2C P18825 3/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33
▸ TBXAS1 P24557 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ RPA1 P27694 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
SCHEMBL10858086 0.85 TAAR1 (0.40) TAAR1ADRA2AADRA2BADRA2CFPR2
SCHEMBL10860365 0.81 ASIC3 (0.41) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL10861551 0.81 TBXAS1 (0.54) TAAR1TBXAS1
SCHEMBL10584615 0.73 ASIC3 (0.41) ASIC3TBXAS1LOXL2MIF
SCHEMBL10855114 0.71 ASIC3 (0.40) ASIC3TBXAS1LOXL2MIFRPA1
SCHEMBL10853507 0.71 ALDH1A1 (0.43) TAAR1TBXAS1
SCHEMBL11217390 0.70 ASIC3 (0.39) ASIC3TBXAS1LOXL2MIF
SCHEMBL10854905 0.67 TAAR1 (0.38) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL10855358 0.67 TBXAS1 (0.67) ADRA2CTBXAS1
SCHEMBL8210853 0.66 TAAR1 (0.67) TAAR1ADRA2AADRA2BADRA2CFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 — — EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 — — US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 — — US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 — — EP disclosed
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