SCHEMBL7361445

SCHEMBL7361445

CCc1ccccc1N(c1cccc(C#N)c1)C(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
KCNA5 P22460 1/20 0.42
PTGER1 P34995 2/20 0.40
GPR139 Q6DWJ6 1/20 0.39
PER2 O15055 1/20 0.39
CRY1 Q16526 1/20 0.39
CRY2 Q49AN0 1/20 0.39
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
FFAR1 O14842 2/20 0.35
LMNA P02545 1/20 0.35
FOLH1 Q04609 1/20 0.35
GRM4 Q14833 1/20 0.35
NR3C1 P04150 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
GSK3B P49841 2/20 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
SCHEMBL7361444 0.75 KCNN4 (0.46) KCNN4KCNA5GPR139PER2CRY1
SCHEMBL7359457 0.72 FFAR1 (0.45) KCNN4KCNA5MMP12MMP13FFAR1
SCHEMBL7464056 0.70 FFAR1 (0.43) KCNN4KCNA5MMP12MMP13FFAR1
SCHEMBL13367360 0.68 KCNA5 (0.46) KCNN4KCNA5GPR139PER2CRY1
SCHEMBL7368444 0.68 FFAR1 (0.41) KCNN4KCNA5MMP12MMP13FFAR1
SCHEMBL14762502 0.67 GRM4 (0.48) GPR139FFAR1FOLH1GRM4GSK3B
SCHEMBL14632372 0.66 KCNN4 (0.42) KCNN4KCNA5GPR139PER2CRY1
SCHEMBL10068691 0.66 KCNA5 (0.45) KCNN4KCNA5PER2CRY1CRY2
SCHEMBL3830265 0.65 KCNN4 (0.47) KCNN4KCNA5MMP12MMP13FFAR1
SCHEMBL5839123 0.65 TSHR (0.52) KCNN4KCNA5FFAR1LMNA

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
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed