SCHEMBL7622908

SCHEMBL7622908

CCn1ccc2ccc[c]c21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL1419206 0.74 NQO2 (0.34) CDK4CCND1
SCHEMBL3483307 0.69 LMNA (0.33) CDK4CCND1HTR2AHTR2C
SCHEMBL9205092 0.69 CDK4 (0.37) CDK4CCND1KMT2AKDM4E
SCHEMBL29433250 0.67 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1629560 0.67 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL20973050 0.67 F2RL1 (0.36) HTR2AHTR2C
SCHEMBL7818229 0.67 TDP1 (0.39) KMT2AKDM4EMEN1MAPT
SCHEMBL11081014 0.63 ADRA2A (0.50) CDK4CCND1HTR2AHTR2C
Dimethylamine SCHEMBL8570899 0.63 CDK4 (0.61) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1440849 0.63

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1680338-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-10-12 CN disclosed
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed