SCHEMBL5355386

SCHEMBL5355386

Cc1cc2c(cc1C=O)C(C1CCCCC1)=NN(C)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
PTH1R Q03431 5/20 0.33
MEN1 O00255 1/20 0.32
TDP2 O95551 1/20 0.32
NGF P01138 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CREBBP Q92793 1/20 0.31
CHRM1 P11229 2/20 0.31
NR1I2 O75469 1/20 0.31
KDM4B O94953 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL5351487 0.85 PTH1R (0.36) ALDH1A1PTH1RSMN1; SMN2CHRM1PDE4A
SCHEMBL5355360 0.84 BRD4 (0.36) ALDH1A1PTH1RRECQLSMN1; SMN2CREBBP
SCHEMBL5355357 0.84 BRD4 (0.36) ALDH1A1PTH1RRECQLSMN1; SMN2CREBBP
SCHEMBL5321928 0.83 ALDH1A1 (0.35) ALDH1A1PTH1RBLMSMN1; SMN2CREBBP
SCHEMBL5358455 0.83 BCHE (0.37) ALDH1A1PTH1RCREBBPCHRM1NR1I2
SCHEMBL5362739 0.81 PTH1R (0.35) PTH1RMAPTSMN1; SMN2CREBBPCHRM1
SCHEMBL5323349 0.80 ALDH1A1 (0.34) ALDH1A1PTH1RMEN1MAPTRECQL
SCHEMBL5329713 0.78 PTH1R (0.45) ALDH1A1PTH1RCHRM1NR1I2KDM4B
SCHEMBL5326023 0.78 PTH1R (0.37) PTH1R
SCHEMBL5355040 0.74 PTH1R (0.39) ALDH1A1PTH1RPDE4APDE4BPDE4C

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-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed