SCHEMBL6984717

SCHEMBL6984717

CCNc1ccc(C(C)C)cc1SC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.43
ALDH1A1 P00352 5/20 0.34
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 3/20 0.32
CASR P41180 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 4/20 0.32
HPGD P15428 3/20 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
SCHEMBL18930268 0.77 LMNA (0.44) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL24938982 0.75 MAPT (0.37) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL7687653 0.75 P2RX4 (0.39) CRHR1GAALMNAHPGDKMT2A
SCHEMBL20046659 0.75 POLB (0.35) ALDH1A1GAAHTTTSHRCYP3A4
SCHEMBL23773269 0.73 CRHR1 (0.46) CRHR1ALDH1A1GAAHTTALOX12
SCHEMBL22751309 0.71 CASR (0.36) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL11149004 0.71 ADRA1D (0.49) ALDH1A1GAAADRA2AADRA2BADRA2C
SCHEMBL18503026 0.71 PDE3B (0.42) CRHR1ALDH1A1LMNA
SCHEMBL12593462 0.70 LMNA (0.54) CRHR1ALDH1A1GAAHTTALOX12
SCHEMBL9909702 0.70 CRHR1 (0.42) CRHR1ALDH1A1GAAHTTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976745-B1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-08-13 EP disclosed
US-6187781-B1 CORTICOTROPIN RELEASING FACTOR RECEPTOR ANTAGONISTS; ALZHEIMER*S, HUNTINGTON, AND PARKINSON DISEASE; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-02-13 US disclosed
EP-0976745-A1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-02 EP disclosed