SCHEMBL6460945

SCHEMBL6460945

CCC[C@H]1CC[C@@H]2CC(c3c(F)cc(C(=O)Oc4ccc(C#N)c(F)c4)cc3F)CC[C@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.34
EGLN2 Q96KS0 2/20 0.31
CYP2C9 P11712 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
CTSC P53634 2/20 0.31
CTSK P43235 1/20 0.31
KDM1A O60341 3/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
SCN9A Q15858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6460947 1.00 TRPV4 (0.34) TRPV4EGLN2CYP2C9KCNQ3KCNQ2
SCHEMBL6462478 0.95 TRPV4 (0.33) TRPV4EGLN2CTSCCTSKKDM1A
SCHEMBL6462477 0.95 TRPV4 (0.33) TRPV4EGLN2CTSCCTSKKDM1A
SCHEMBL6455195 0.94 TRPV4 (0.33) TRPV4EGLN2KDM1AALDH1A1
SCHEMBL6455197 0.94 TRPV4 (0.33) TRPV4EGLN2KDM1AALDH1A1
SCHEMBL6454065 0.93 ALDH1A1 (0.33) TRPV4EGLN2KDM1AALDH1A1LMNA
SCHEMBL6454063 0.93 ALDH1A1 (0.33) TRPV4EGLN2KDM1AALDH1A1LMNA
SCHEMBL6457977 0.93 ALDH1A1 (0.33) TRPV4EGLN2KDM1AALDH1A1LMNA
SCHEMBL6457971 0.93 ALDH1A1 (0.33) TRPV4EGLN2KDM1AALDH1A1LMNA
SCHEMBL6458381 0.93 TRPV4 (0.35) TRPV4EGLN2CTSCCTSKKDM1A

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed