SCHEMBL20007513

SCHEMBL20007513

C=C1CN(S(=O)(=O)c2ccc(Cl)cn2)C[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 12/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36
CYP3A4 P08684 3/20 0.35
KCNH2 Q12809 3/20 0.35
HSD11B1 P28845 1/20 0.34
GRM4 Q14833 1/20 0.34
LMNA P02545 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL29352449 0.84 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL21172026 0.84 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL23613811 0.75 TSHR (0.47) TRPV4MEN1POLBKMT2AHSD11B1
SCHEMBL23613812 0.74 KMT2A (0.38) TRPV4KMT2APSEN1PSEN2APH1B
SCHEMBL428472 0.74 POLB (0.49) TRPV4MEN1POLBKMT2A
SCHEMBL28932757 0.73 TRPV4 (0.42) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL28932771 0.69 TRPV4 (0.46) TRPV4CYP3A4KCNH2
SCHEMBL30266529 0.69 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL31453522 0.69 PKM (0.51) MEN1POLBKMT2A
SCHEMBL28422650 0.69 MEN1 (0.36) TRPV4MEN1POLBKMT2APSEN1

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
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed