SCHEMBL4764049

SCHEMBL4764049

CC(=O)N1CCN(CC(C)NC(=O)c2oc(-c3ccccc3F)nc2CCS(C)(=O)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
P2RX3 P56373 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 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
SCHEMBL4792234 0.88
SCHEMBL4763128 0.88 P2RX3 (0.41) SMN1; SMN2P2RX3MAPT
SCHEMBL4763129 0.76
SCHEMBL4498797 0.74 TSHR (0.46) LMNASMN1; SMN2TSHRMAPK1POLB
SCHEMBL4762442 0.74
SCHEMBL4761787 0.68
SCHEMBL4504404 0.67 PPARG (0.40)
SCHEMBL4504403 0.67 PPARG (0.40)
SCHEMBL4507919 0.63 KMO (0.38) LMNATSHRMAPK1POLBMAPT
SCHEMBL4510686 0.62 KMT2A (0.52) LMNASMN1; SMN2TSHRMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed