SCHEMBL27701262

SCHEMBL27701262

CCc1nn(C2CCCC2)c2cc(C(C)C(=O)C(C)c3ccc4c(CC)nn(C5CCCC5)c4c3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 19/20 0.42
TEAD1 P28347 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41

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
SCHEMBL3605892 0.87 ESR1 (0.40) CMKLR1
SCHEMBL3603291 0.85 ESR1 (0.41) CMKLR1
SCHEMBL27701266 0.84 CMKLR1 (0.38) CMKLR1
SCHEMBL27721898 0.82 KHK (0.39) CMKLR1
SCHEMBL7290322 0.81 CMKLR1 (0.41) CMKLR1
SCHEMBL3176719 0.80 TEAD1 (0.53) TEAD1TEAD4TEAD2
SCHEMBL3604069 0.80 TEAD1 (0.43) TEAD1TEAD4TEAD2
SCHEMBL28772830 0.79 SLC22A12 (0.39)
SCHEMBL3604745 0.79 TEAD1 (0.42) TEAD1TEAD4TEAD2
SCHEMBL7377745 0.79 SLC22A12 (0.42) CMKLR1TEAD1TEAD4TEAD2

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-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN disclosed