SCHEMBL3979732

SCHEMBL3979732

O=C(NCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1=Cc2cc(F)ccc2OC1.O=C(O)C1=Cc2cc(F)ccc2OC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
DRD3 P35462 6/20 0.45
HTR1A P08908 6/20 0.45
HTR2A P28223 6/20 0.45
DRD2 P14416 5/20 0.45
HTR2C P28335 3/20 0.45
DRD4 P21917 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 3/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL3982647 0.97 POLB (0.49) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL3983329 0.90 DRD3 (0.49) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL3979490 0.89 DRD2 (0.50) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL3979475 0.88 POLB (0.52) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL3976526 0.87 DRD3 (0.51) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL3976533 0.85 DRD2 (0.55) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL3976988 0.85 HTR1A (0.50) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL3978392 0.82 DRD3 (0.57) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL13484926 0.82 HTR1A (0.58) POLBDRD3HTR1AHTR2ADRD2
SCHEMBL13484931 0.82 HTR7 (0.49) POLBDRD3HTR1AHTR2ADRD2

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