SCHEMBL6231638

SCHEMBL6231638

COCn1ccc2c[c]ccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.33
CDK4 P11802 4/20 0.32
CCND1 P24385 4/20 0.32
HTR2A P28223 2/20 0.32

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
SCHEMBL3198506 0.83 GLO1 (0.39) HTR2CCDK4CCND1HTR2A
SCHEMBL5778093 0.81 GLO1 (0.41) HTR2CCDK4CCND1HTR2A
SCHEMBL189124 0.80 CDK4 (0.35) HTR2CCDK4CCND1HTR2A
SCHEMBL694594 0.77 CDK4 (0.41) HTR2CCDK4CCND1HTR2A
SCHEMBL6228700 0.77 CDK4 (0.35) CDK4CCND1
SCHEMBL5777257 0.76 ATM (0.47)
SCHEMBL16719793 0.76 HTR2A (0.40) HTR2CCDK4CCND1HTR2A
SCHEMBL6229841 0.76 HTR2C (0.41) HTR2CHTR2A
SCHEMBL6229331 0.76 GRM2 (0.34) HTR2CCDK4CCND1HTR2A
SCHEMBL6231276 0.75 TSHR (0.39) CDK4CCND1

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