SCHEMBL7994529

SCHEMBL7994529

N#Cc1ccc(CCC=CO)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
DAO P14920 2/20 0.46
CYP11B2 P19099 14/20 0.43
CYP11B1 P15538 13/20 0.43
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9477145 0.79 CYP11B1 (0.48) TRPV4CYP11B2CYP11B1KCNJ1
SCHEMBL9477164 0.79 CYP11B1 (0.48) TRPV4CYP11B2CYP11B1KCNJ1
SCHEMBL287322 0.78 TRPV4 (0.53) TRPV4DAOCYP11B2CYP11B1KCNJ1
SCHEMBL6564705 0.76 TRPV4 (0.55) TRPV4DAOCYP11B2CYP11B1KCNJ1
SCHEMBL6411198 0.76 TRPV4 (0.50) TRPV4DAOCYP11B2CYP11B1KCNJ1
SCHEMBL7998375 0.76 KIF11 (0.33) KCNH2
SCHEMBL4821602 0.75 TRPV4 (0.46) TRPV4DAOCYP11B2CYP11B1KCNJ1
SCHEMBL5316849 0.75 TRPV4 (0.53) TRPV4DAOCYP11B2CYP11B1KCNJ1
SCHEMBL13548285 0.75 TRPV4 (0.53) TRPV4DAOCYP11B2CYP11B1KCNJ1
Hydrochloric Acid SCHEMBL28803020 0.75 TRPV4 (0.53) TRPV4DAOCYP11B2CYP11B1KCNJ1

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-2001051494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO disclosed