SCHEMBL6229331

SCHEMBL6229331

CC(C)(C)Cn1ccc2c[c]ccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
CDK4 P11802 4/20 0.32
CCND1 P24385 4/20 0.32
HTR7 P34969 1/20 0.32
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 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
SCHEMBL189124 0.80 CDK4 (0.35) CDK4CCND1HTR2AHTR2C
SCHEMBL694594 0.77 CDK4 (0.41) GRM2CDK4CCND1HTR2AHTR2C
SCHEMBL6228700 0.77 CDK4 (0.35) CDK4CCND1
SCHEMBL6229841 0.76 HTR2C (0.41) HTR2AHTR2C
SCHEMBL6231638 0.76 HTR2C (0.33) CDK4CCND1HTR2AHTR2C
SCHEMBL16719793 0.76 HTR2A (0.40) CDK4CCND1HTR2AHTR2C
SCHEMBL698157 0.76 HTR2C (0.40) CDK4CCND1HTR2AHTR2C
SCHEMBL5814894 0.75 CDK4 (0.44) CDK4CCND1HTR2AHTR2C
SCHEMBL16719574 0.74
SCHEMBL418336 0.74 CDK4 (0.61) CDK4CCND1HTR2AHTR2C

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-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed