SCHEMBL21748441

SCHEMBL21748441

NCCC[Si](CCCN)(CCCN)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
KIF11 P52732 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
CYP2A6 P11509 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21748454 0.91 MAOA (0.45) MAOAHTR2AHRH1KIF11LOXL2
SCHEMBL3930440 0.79 MAOA (0.41) MAOAHTR2AHRH1KIF11LOXL2
SCHEMBL24433798 0.77 MAOA (0.40) MAOAHTR2AHRH1KIF11LOXL2
SCHEMBL3865502 0.77 MGAM (0.40) MAOAHTR2AHRH1KIF11LOXL2
SCHEMBL10611414 0.77 MAOA (0.40) MAOAHTR2AHRH1KIF11LOXL2
SCHEMBL4533823 0.77 MAOA (0.40) MAOAHTR2AHRH1KIF11LOXL2
SCHEMBL3886636 0.76 TSHR (0.38) SMN1; SMN2
SCHEMBL4190206 0.76 HDAC3 (0.39)
SCHEMBL126332 0.76 HTR2A (0.42) MAOAHTR2AHRH1KIF11LOXL2
SCHEMBL19180839 0.74 SIGMAR1 (0.46) MAOAHTR2ASMN1; SMN2

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-3841167-B1 COMPOSITION FOR SILICONE RUBBER MASSES NITROCHEMIE GMBH (DE) 2023-02-22 EP disclosed
EP-3613803-B1 COMPOSITION FOR SILICONE RUBBER MASSES NITROCHEMIE GMBH (DE) 2022-02-23 EP disclosed
US-20210324195-A1 Composition for Silicone Rubber Masses NITROCHEMIE ASCHAU GMBH (DE) 2021-10-21 US disclosed
EP-3841167-A1 COMPOSITION FOR SILICONE RUBBER MATERIALS Nitrochemie Aschau GmbH (DE) 2021-06-30 EP disclosed
WO-2020038950-A1 COMPOSITION FOR SILICONE RUBBER MATERIALS NITROCHEMIE ASCHAU GMBH (DE) 2020-02-27 WO disclosed
EP-3613803-A1 COMPOSITION FOR SILICONE RUBBER MASSES Nitrochemie Aschau GmbH (DE) 2020-02-26 EP disclosed