SCHEMBL3975562

SCHEMBL3975562

NCCCCN1CCN(c2ccccc2O)CC1.O=C(O)C1=Cc2ccccc2SC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.45
HTR7 P34969 7/20 0.45
HTR1D P28221 4/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 4/20 0.45
HTR5A P47898 4/20 0.45
HTR6 P50406 4/20 0.45
HTR2A P28223 2/20 0.45
ADRA1B P35368 1/20 0.44
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
ADRA1A P35348 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3975561 0.83 DRD3 (0.57) HTR1AHTR2CHTR2AADRA1BDRD2
SCHEMBL3981786 0.79 SIGMAR1 (0.52) HTR1AHTR7HTR2CHTR2ADRD2
SCHEMBL3974517 0.79 HTR1A (0.42) HTR1AHTR7DRD2DRD3ALDH1A1
SCHEMBL3976405 0.79 ALDH1A1 (0.49) HTR7DRD2DRD3ADRA1AGAA
SCHEMBL3200963 0.78 ADRA1B (0.60) HTR1AHTR7HTR1DHTR2CHTR2B
SCHEMBL3982377 0.78 HTR7 (0.51) HTR1AHTR7DRD3GAAALDH1A1
SCHEMBL3980650 0.78 DRD2 (0.51) DRD2DRD3ADRA1AALDH1A1
SCHEMBL3977894 0.78 DRD3 (0.58) HTR1AHTR2CHTR2BHTR2AADRA1B
SCHEMBL3982337 0.76 KCNH2 (0.53) HTR1AHTR7HTR6HTR2ADRD2
SCHEMBL3974445 0.74 DRD2 (0.58) HTR1AHTR2CHTR2AADRA1BDRD2

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-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed