SCHEMBL2391973

SCHEMBL2391973

C[C@H]1[C@@H](O)C[C@@H](C[Si](C)(C)C)N1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR2 O43614 1/20 0.41
CYP2C19 P33261 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40

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
SCHEMBL2389760 0.83 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL8606286 0.74 HTR2C (0.70) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL16467962 0.72 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL3652770 0.72 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL10466611 0.72 HTR2C (0.62) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL29587713 0.72 HTR2C (0.59) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL30523560 0.71 HTR2C (0.55) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL25843950 0.71 HTR2C (0.55) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL25843953 0.71 HTR2C (0.55) HTR2CCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL10387195 0.71 HTR2C (0.51) HTR2CMEN1KMT2ANPSR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed