SCHEMBL14166152

SCHEMBL14166152

Cc1ccc(S(=O)(=O)OCC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.52
CD4 P01730 2/20 0.52
SORT1 Q99523 1/20 0.52
HTR2A P28223 2/20 0.51
DRD2 P14416 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL19475540 0.95 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1TSHRPOLB
SCHEMBL8540875 0.93 HTR6 (0.54) SMN1; SMN2LMNAALDH1A1TSHRPOLB
SCHEMBL8540877 0.93 HTR6 (0.54) SMN1; SMN2LMNAALDH1A1TSHRPOLB
SCHEMBL1943416 0.86 ACHE (0.53) SMN1; SMN2POLBCD4SORT1ACHE
SCHEMBL9212450 0.85 BCHE (0.50) SMN1; SMN2LMNAALDH1A1TSHRPOLB
SCHEMBL5744572 0.84 CYP2D6 (0.57) SMN1; SMN2LMNAALDH1A1TSHRPOLB
SCHEMBL7782471 0.83 HTR6 (0.53) SMN1; SMN2LMNAALDH1A1TSHRPOLB
SCHEMBL9217317 0.83 HTR2A (0.55) ALDH1A1HTR2ADRD2HTR2CHTR2B
SCHEMBL1474769 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1TSHRPOLB
SCHEMBL1474768 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383867-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-10-10 EP disclosed
WO-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 WO disclosed
EP-3116504-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-01-18 EP disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 WO disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed