SCHEMBL17050353

SCHEMBL17050353

NC1CCS(=O)(=O)c2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
ADRA1D P25100 10/20 0.38
GRIA1 P42261 4/20 0.36
GRIA2 P42262 4/20 0.36
GRIA3 P42263 4/20 0.36
GRIA4 P48058 4/20 0.36
CA1 P00915 1/20 0.36
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34

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
SCHEMBL17050355 0.87 ADRA1D (0.46) CA2ADRA1DCA1KDM1AKDM1B
Hydrochloric Acid SCHEMBL1004820 0.85 ADRA1D (0.48) CA2ADRA1DCA1KDM1AKDM1B
SCHEMBL17033306 0.80 CA1 (0.45) CA2ADRA1DGRIA1GRIA2GRIA3
SCHEMBL20992181 0.80 ADRA1D (0.38) CA2ADRA1DGRIA1GRIA2GRIA3
SCHEMBL2355589 0.79 ADRA1D (0.40) CA2ADRA1DGRIA1GRIA2GRIA3
SCHEMBL17031835 0.78 ADRA1D (0.39) CA2ADRA1DGRIA1GRIA2GRIA3
SCHEMBL2906600 0.75 CA2 (0.41) CA2ADRA1D
SCHEMBL13499160 0.75 CA2 (0.41) CA2ADRA1D
Hydrochloric Acid SCHEMBL1002826 0.74 CA2 (0.42) CA2ADRA1D
SCHEMBL20671092 0.72 ADRA1D (0.41) CA2ADRA1DGRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015130806-A9 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-08-11 WO disclosed
WO-2015130845-A9 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-06-30 WO disclosed
WO-2015130830-A9 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
WO-2015130842-A9 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-05-19 WO disclosed
WO-2015130838-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130784-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130806-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130830-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130795-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130845-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130842-A2 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed