SCHEMBL27958745

SCHEMBL27958745

Cc1c(C#N)ccc(F)c1C1CO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.36
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 5/20 0.34
TRPV4 Q9HBA0 1/20 0.33
KDM1A O60341 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
KCNJ1 P48048 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
SCHEMBL17687714 0.80 TRPV4 (0.34) ARCYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL14723162 0.73 AR (0.41) ARCYP11B1CYP11B2KCNJ1
SCHEMBL2693449 0.72 AR (0.47) ARCYP11B1CYP11B2TRPV4USP8
SCHEMBL6364089 0.70 TRPV4 (0.42) ARCYP11B1CYP11B2TRPV4
SCHEMBL286934 0.70 KCNJ1 (0.44) KCNJ1
SCHEMBL27958739 0.69 OPRL1 (0.43) CYP11B1CYP11B2KCNJ1
SCHEMBL286664 0.69 TRPV4 (0.47) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL16122042 0.69 TRPV4 (0.41) ARCYP11B1CYP11B2TRPV4
SCHEMBL24495511 0.67 AR (0.45) ARCYP11B1CYP11B2TRPV4
SCHEMBL31156144 0.67 AR (0.40) ARCYP11B1CYP11B2TRPV4

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
CN-103874493-A Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME 2014-06-18 CN disclosed