SCHEMBL4975544

SCHEMBL4975544

CC(C)C[C@@](NC(=O)O)(C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
CCR1 P32246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 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
SCHEMBL4974082 0.83 TRPV4 (0.53) MEN1KMT2ATRPV4
SCHEMBL5004460 0.77 TRPV4 (0.53) MAPTLMNAMEN1KMT2ATHRB
SCHEMBL4971936 0.76 TRPV4 (0.47) MAPTMEN1KMT2ATRPV4
SCHEMBL13994327 0.74 TRPV4 (0.52) LMNAMEN1KMT2ATHRBTRPV4
SCHEMBL13994326 0.72 TRPV4 (0.50) MAPTLMNAMEN1KMT2ATRPV4
SCHEMBL5007940 0.71 TRPV4 (0.52) MEN1KMT2ATRPV4CCR1
SCHEMBL4771053 0.70 CCR1 (0.39) MEN1KMT2ATRPV4CCR1ATM
SCHEMBL5007983 0.69 CCR1 (0.39) MEN1KMT2ATRPV4CCR1L3MBTL1
SCHEMBL7995044 0.68 TRPV4 (0.41) MAPTTRPV4CCR1
SCHEMBL4972298 0.67 CHRM5 (0.34) POLB

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-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 WO disclosed