SCHEMBL29994

SCHEMBL29994

CC1CCC(COc2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.54
KDM1A O60341 3/20 0.49
PARP10 Q53GL7 3/20 0.44
PARP15 Q460N3 2/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HPGD P15428 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
SCN9A Q15858 1/20 0.40
EGLN2 Q96KS0 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
SCHEMBL8005337 0.88 PARP10 (0.51) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL8005329 0.88 PARP10 (0.51) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL9345940 0.87 TRPV4 (0.43) TRPV4KDM1ACYP11B1CYP11B2
SCHEMBL9591416 0.87 TRPV4 (0.43) TRPV4KDM1ACYP11B1CYP11B2
SCHEMBL8154702 0.86 TRPV4 (0.52) TRPV4KDM1APARP10PARP15SLC6A2
SCHEMBL8154704 0.86 TRPV4 (0.52) TRPV4KDM1APARP10PARP15SLC6A2
SCHEMBL18722089 0.86 PARP10 (0.58) TRPV4KDM1APARP10PARP15SLC6A2
SCHEMBL8020669 0.85 TRPV4 (0.45) TRPV4KDM1APARP10PARP15HPGD
SCHEMBL8016037 0.85 TRPV4 (0.45) TRPV4KDM1APARP10PARP15HPGD
SCHEMBL8020665 0.85 TRPV4 (0.45) TRPV4KDM1APARP10PARP15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed