SCHEMBL7420409

SCHEMBL7420409

N=C(N)c1ccc2c(c1)C(CCNC(=O)c1ccccc1)CO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR2C P28335 1/20 0.53
F10 P00742 5/20 0.47
TBXA2R P21731 1/20 0.47
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
TPSAB1 Q15661 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLKB1 P03952 2/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KLF5 Q13887 1/20 0.41

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
SCHEMBL2640158 0.95 F10 (0.52) HTR1AHTR1DHTR2CF10TBXA2R
SCHEMBL2639752 0.92 F10 (0.47) HTR1AHTR1DHTR2CF10ITGB3
SCHEMBL6216925 0.89 ITGB3 (0.49) HTR1AHTR1DHTR2CF10ITGB3
SCHEMBL6212650 0.89 F10 (0.51) HTR1AHTR1DHTR2CF10TBXA2R
SCHEMBL2640127 0.87 HTR1A (0.48) HTR1AHTR1DHTR2CF10ITGB3
SCHEMBL2640085 0.86 HTR1A (0.47) HTR1AHTR1DHTR2CF10ITGB3
SCHEMBL2640150 0.86 HTR1A (0.53) HTR1AHTR1DHTR2CF10ITGB3
SCHEMBL2639545 0.86 HTR1A (0.50) HTR1AHTR1DHTR2CF10TBXA2R
SCHEMBL2639560 0.85 HTR1A (0.45) HTR1AHTR1DHTR2CTBXA2RITGB3
SCHEMBL6213045 0.85 F10 (0.47) HTR1AHTR1DHTR2CF10TBXA2R

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-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO disclosed