SCHEMBL9409303

SCHEMBL9409303

CC1CCc2ccc[c]c2N1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
TSHR P16473 1/20 0.32
PDPK1 O15530 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
SCHEMBL1734662 0.69 MTNR1A (0.45) ALDH1A1GFERTSHRPDPK1
SCHEMBL4130897 0.69 MTNR1A (0.45) ALDH1A1GFERTSHRPDPK1
SCHEMBL29683355 0.69 MTNR1A (0.45) ALDH1A1GFERTSHRPDPK1
SCHEMBL29641564 0.69 MTNR1A (0.45) ALDH1A1GFERTSHRPDPK1
SCHEMBL424121 0.69 MTNR1A (0.45) ALDH1A1GFERTSHRPDPK1
Ammonia Solution, Strong SCHEMBL5054545 0.68 MTNR1A (0.44) ALDH1A1GFERTSHRPDPK1
SCHEMBL107331 0.67
SCHEMBL19511078 0.66 ALDH1A1 (0.35) ALDH1A1GFERTSHR
SCHEMBL10840679 0.66 MEN1 (0.50) ALDH1A1GFERTSHR
SCHEMBL30163317 0.66 MEN1 (0.50) ALDH1A1GFERTSHR

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
JP-6219949-A None JP disclosed
JP-H06219949-A ANTITHROMBIN AGENT AND ITS PRODUCTION MITSUBISHI KASEI CORP 1994-08-09 JP disclosed