SCHEMBL15428503

SCHEMBL15428503

Cc1cc(O[C@H]2CCN(S(C)(=O)=O)C2)cc(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
CYP2D6 P10635 1/20 0.43
RORC P51449 2/20 0.41
CHRM4 P08173 1/20 0.40
POLB P06746 2/20 0.39
PDE4B Q07343 2/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
FPR2 P25090 3/20 0.38
PROKR1 Q8TCW9 3/20 0.38
GRM5 P41594 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37

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
SCHEMBL15263145 1.00 HRH3 (0.43) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL15263144 1.00 HRH3 (0.43) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL15262814 0.92 PDE4B (0.40) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL15262812 0.92 PDE4B (0.40) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL15263015 0.92 PDE4B (0.40) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL15261932 0.92 HRH3 (0.50) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL15262719 0.88 GRM5 (0.45) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL15829217 0.78 FPR2 (0.53) HRH3CYP2D6RORCMAPTSMN1; SMN2
SCHEMBL15830270 0.77 KMT2A (0.49) HRH3CYP2D6RORCCHRM4POLB
SCHEMBL17851395 0.76 TP53 (0.35) MAPT

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-2855419-B1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2017-03-01 EP disclosed
US-8633182-B2 Indanyloxyphenylcyclopropanecarboxylic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633182-B2 Indanyloxyphenylcyclopropanecarboxylic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
WO-2013178575-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 WO disclosed