SCHEMBL10853085

SCHEMBL10853085

Cc1c(Cc2ncc[nH]2)ccc2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 3/20 0.48
▸ ADRA2B P18089 3/20 0.48
▸ ADRA2C P18825 3/20 0.48
▸ TAAR1 Q96RJ0 6/20 0.42
▸ HTR1A P08908 1/20 0.40
▸ FPR2 P25090 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TOP2A P11388 1/20 0.32
▸ TOP2B Q02880 1/20 0.32
▸ CHEK1 O14757 2/20 0.32

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
SCHEMBL10929929 0.82 ADRA2A (0.67) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL10856351 0.81 ADRA2A (0.45) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL10856277 0.80 ADRA2A (0.44) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL11706959 0.73 TAAR1 (0.44) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL10858086 0.71 TAAR1 (0.40) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL8210853 0.71 TAAR1 (0.67) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL10857468 0.70 HTT (0.43) FPR2KMT2A
SCHEMBL10860261 0.69 TAAR1 (0.43) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL2776944 0.69 TAAR1 (0.68) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL11567295 0.69 TAAR1 (0.64) ADRA2AADRA2BADRA2CTAAR1HTR1A

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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