SCHEMBL20554238

SCHEMBL20554238

COCC(=O)N[C@@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM1A O60341 10/20 0.54
MAOB P27338 2/20 0.52
HRH3 Q9Y5N1 1/20 0.51
EPHX2 P34913 6/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL15540699 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL15540731 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL20554570 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL15540915 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL8334238 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL25695438 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1KDM1AMAOBHRH3
Hydrochloric Acid SCHEMBL28626845 0.81 SMN1; SMN2 (0.66) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL12483547 0.81 SMN1; SMN2 (0.70) SMN1; SMN2NPSR1KDM1AMAOBHRH3
SCHEMBL15540846 0.80 MTNR1A (0.43) SMN1; SMN2NPSR1
SCHEMBL15541812 0.80 MTNR1A (0.43) SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867226-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-11-14 EP disclosed